4,5-Di(hydroxymethyl)thiazole - CAS 1393686-89-9

Catalog:	BB008931
Product Name:	4,5-Di(hydroxymethyl)thiazole
CAS:	1393686-89-9
Synonyms:	[5-(hydroxymethyl)-4-thiazolyl]methanol; [5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol

Technical Data

Patents

Computed Properties

IUPAC Name:	[5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol
Description:	4,5-Di(hydroxymethyl)thiazole (CAS# 1393686-89-9 ) is a useful research chemical.
Molecular Weight:	145.18
Molecular Formula:	C5H7NO2S
Canonical SMILES:	C1=NC(=C(S1)CO)CO
InChI:	InChI=1S/C5H7NO2S/c7-1-4-5(2-8)9-3-6-4/h3,7-8H,1-2H2
InChI Key:	PNPJTRKDLZMFBQ-UHFFFAOYSA-N
LogP:	0.12770

Publication Number	Title	Priority Date
EP-2009004-A1	Novel piperazine compound, and use thereof as hcv polymerase inhibitor	20060418
US-2008081818-A1	New Piperazine Compound and Use Thereof as a HCV Polymerase Inhibitor	20060418
US-2012107273-A1	New piperazine compound and use thereof as a hcv polymerase inhibitor	20060418
US-8017612-B2	Piperazine compound and use thereof as a HCV polymerase inhibitor	20060418

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Complexity:	91
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	145.01974964
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	145.01974964
Rotatable Bond Count:	2
Topological Polar Surface Area:	81.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7