(2-chloro-4-methyl-1,3-thiazol-5-yl)methanol

C5H6ClNOS — CID 13106536

IUPAC(2-chloro-4-methyl-1,3-thiazol-5-yl)methanol
SMILESCc1nc(Cl)sc1CO
InChIInChI=1S/C5H6ClNOS/c1-3-4(2-8)9-5(6)7-3/h8H,2H2,1H3
InChIKeyGXRVZGYSUWUAAK-UHFFFAOYSA-N
MW163.63 g/mol
LogP1.60
Rot. Bonds1

About (2-chloro-4-methyl-1,3-thiazol-5-yl)methanol

(2-chloro-4-methyl-1,3-thiazol-5-yl)methanol (PubChem CID 13106536) has the molecular formula C5H6ClNOS and a molecular weight of 163.63 g/mol. Its IUPAC name is (2-chloro-4-methyl-1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(2-chloro-4-methyl-1,3-thiazol-5-yl)methanol
PubChem CID13106536
Molecular FormulaC5H6ClNOS
Molecular Weight163.63 g/mol
Exact Mass162.99
IUPAC Name(2-chloro-4-methyl-1,3-thiazol-5-yl)methanol
SMILESCc1nc(Cl)sc1CO
InChIInChI=1S/C5H6ClNOS/c1-3-4(2-8)9-5(6)7-3/h8H,2H2,1H3
InChIKeyGXRVZGYSUWUAAK-UHFFFAOYSA-N
XLogP1.60
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.63
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methyl-1,3-thiazol-5-yl)methanol?
The IUPAC name of (2-chloro-4-methyl-1,3-thiazol-5-yl)methanol (CID 13106536) is (2-chloro-4-methyl-1,3-thiazol-5-yl)methanol.
What is the SMILES notation for (2-chloro-4-methyl-1,3-thiazol-5-yl)methanol?
The canonical SMILES for (2-chloro-4-methyl-1,3-thiazol-5-yl)methanol is Cc1nc(Cl)sc1CO.
What is the InChIKey of (2-chloro-4-methyl-1,3-thiazol-5-yl)methanol?
The InChIKey is GXRVZGYSUWUAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNOS/c1-3-4(2-8)9-5(6)7-3/h8H,2H2,1H3.
What are the key properties of (2-chloro-4-methyl-1,3-thiazol-5-yl)methanol?
(2-chloro-4-methyl-1,3-thiazol-5-yl)methanol has a molecular weight of 163.63 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methyl-1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 13106536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).