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

C6H9NOS — CID 2776250

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)methanol
SMILESCc1nc(C)c(CO)s1
InChIInChI=1S/C6H9NOS/c1-4-6(3-8)9-5(2)7-4/h8H,3H2,1-2H3
InChIKeyBRQKYVQSAUQHNC-UHFFFAOYSA-N
MW143.21 g/mol
LogP1.25
Rot. Bonds1

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

(2,4-dimethyl-1,3-thiazol-5-yl)methanol (PubChem CID 2776250) has the molecular formula C6H9NOS and a molecular weight of 143.21 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)methanol
PubChem CID2776250
Molecular FormulaC6H9NOS
Molecular Weight143.21 g/mol
Exact Mass143.04
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)methanol
SMILESCc1nc(C)c(CO)s1
InChIInChI=1S/C6H9NOS/c1-4-6(3-8)9-5(2)7-4/h8H,3H2,1-2H3
InChIKeyBRQKYVQSAUQHNC-UHFFFAOYSA-N
XLogP1.25
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)methanol?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)methanol (CID 2776250) is (2,4-dimethyl-1,3-thiazol-5-yl)methanol.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)methanol?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)methanol is Cc1nc(C)c(CO)s1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)methanol?
The InChIKey is BRQKYVQSAUQHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS/c1-4-6(3-8)9-5(2)7-4/h8H,3H2,1-2H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)methanol?
(2,4-dimethyl-1,3-thiazol-5-yl)methanol has a molecular weight of 143.21 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 2776250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).