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

C5H7NOS — CID 10582809

IUPAC(2-methyl-1,3-thiazol-4-yl)methanol
SMILESCc1nc(CO)cs1
InChIInChI=1S/C5H7NOS/c1-4-6-5(2-7)3-8-4/h3,7H,2H2,1H3
InChIKeyKRCIFTBSQKDYMH-UHFFFAOYSA-N
MW129.18 g/mol
LogP0.94
Rot. Bonds1

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

(2-methyl-1,3-thiazol-4-yl)methanol (PubChem CID 10582809) has the molecular formula C5H7NOS and a molecular weight of 129.18 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-4-yl)methanol.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-4-yl)methanol
PubChem CID10582809
Molecular FormulaC5H7NOS
Molecular Weight129.18 g/mol
Exact Mass129.02
IUPAC Name(2-methyl-1,3-thiazol-4-yl)methanol
SMILESCc1nc(CO)cs1
InChIInChI=1S/C5H7NOS/c1-4-6-5(2-7)3-8-4/h3,7H,2H2,1H3
InChIKeyKRCIFTBSQKDYMH-UHFFFAOYSA-N
XLogP0.94
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-4-yl)methanol?
The IUPAC name of (2-methyl-1,3-thiazol-4-yl)methanol (CID 10582809) is (2-methyl-1,3-thiazol-4-yl)methanol.
What is the SMILES notation for (2-methyl-1,3-thiazol-4-yl)methanol?
The canonical SMILES for (2-methyl-1,3-thiazol-4-yl)methanol is Cc1nc(CO)cs1.
What is the InChIKey of (2-methyl-1,3-thiazol-4-yl)methanol?
The InChIKey is KRCIFTBSQKDYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NOS/c1-4-6-5(2-7)3-8-4/h3,7H,2H2,1H3.
What are the key properties of (2-methyl-1,3-thiazol-4-yl)methanol?
(2-methyl-1,3-thiazol-4-yl)methanol has a molecular weight of 129.18 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-4-yl)methanol is sourced from PubChem (CID 10582809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).