3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]sulfanyl]butan-2-ol

C8H12ClNO2S2 — CID 107772316

IUPAC3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]sulfanyl]butan-2-ol
SMILESCC(O)C(C)Sc1nc(Cl)c(CO)s1
InChIInChI=1S/C8H12ClNO2S2/c1-4(12)5(2)13-8-10-7(9)6(3-11)14-8/h4-5,11-12H,3H2,1-2H3
InChIKeyUUUYUNMZCWXPAN-UHFFFAOYSA-N
MW253.78 g/mol
LogP2.15
Rot. Bonds4

About 3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]sulfanyl]butan-2-ol

3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]sulfanyl]butan-2-ol (PubChem CID 107772316) has the molecular formula C8H12ClNO2S2 and a molecular weight of 253.78 g/mol. Its IUPAC name is 3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]sulfanyl]butan-2-ol.

Molecular Properties

Compound Name3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]sulfanyl]butan-2-ol
PubChem CID107772316
Molecular FormulaC8H12ClNO2S2
Molecular Weight253.78 g/mol
Exact Mass253.00
IUPAC Name3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]sulfanyl]butan-2-ol
SMILESCC(O)C(C)Sc1nc(Cl)c(CO)s1
InChIInChI=1S/C8H12ClNO2S2/c1-4(12)5(2)13-8-10-7(9)6(3-11)14-8/h4-5,11-12H,3H2,1-2H3
InChIKeyUUUYUNMZCWXPAN-UHFFFAOYSA-N
XLogP2.15
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]sulfanyl]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-tert-butylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol
CID 80692827
3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]butan-2-ol
CID 130683338
[4-chloro-2-[2-(dimethylamino)ethylsulfanyl]-1,3-thiazol-5-yl]methanol
CID 80692339
[4-chloro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1,3-thiazol-5-yl]methanol
CID 80693370
[4-chloro-2-(1-cyclopropylethylamino)-1,3-thiazol-5-yl]methanol
CID 130735058
[4-chloro-2-(3,4-dichlorophenyl)sulfanyl-1,3-thiazol-5-yl]methanol
CID 80693463
(2-benzylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol
CID 80693138
[4-chloro-2-(2-methylpropylamino)-1,3-thiazol-5-yl]methanol
CID 130679999
[4-chloro-2-(4-methylpyrimidin-2-yl)sulfanyl-1,3-thiazol-5-yl]methanol
CID 80693034
[4-chloro-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]methanol
CID 112661812
3-[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]sulfanylbutan-2-ol
CID 107772308
[2-(3-bromophenyl)sulfanyl-4-chloro-1,3-thiazol-5-yl]methanol
CID 80692045

Frequently Asked Questions

What is the IUPAC name of 3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]sulfanyl]butan-2-ol?
The IUPAC name of 3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]sulfanyl]butan-2-ol (CID 107772316) is 3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]sulfanyl]butan-2-ol.
What is the SMILES notation for 3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]sulfanyl]butan-2-ol?
The canonical SMILES for 3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]sulfanyl]butan-2-ol is CC(O)C(C)Sc1nc(Cl)c(CO)s1.
What is the InChIKey of 3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]sulfanyl]butan-2-ol?
The InChIKey is UUUYUNMZCWXPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO2S2/c1-4(12)5(2)13-8-10-7(9)6(3-11)14-8/h4-5,11-12H,3H2,1-2H3.
What are the key properties of 3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]sulfanyl]butan-2-ol?
3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]sulfanyl]butan-2-ol has a molecular weight of 253.78 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]sulfanyl]butan-2-ol is sourced from PubChem (CID 107772316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).