1,3-thiazol-5-ylmethyl 5-methylpyridine-3-carboxylate

C11H10N2O2S — CID 86791542

IUPAC1,3-thiazol-5-ylmethyl 5-methylpyridine-3-carboxylate
SMILESCc1cncc(C(=O)OCc2cncs2)c1
InChIInChI=1S/C11H10N2O2S/c1-8-2-9(4-12-3-8)11(14)15-6-10-5-13-7-16-10/h2-5,7H,6H2,1H3
InChIKeyJLKQSQYKOWCKFL-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.20
Rot. Bonds3

About 1,3-thiazol-5-ylmethyl 5-methylpyridine-3-carboxylate

1,3-thiazol-5-ylmethyl 5-methylpyridine-3-carboxylate (PubChem CID 86791542) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl 5-methylpyridine-3-carboxylate.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethyl 5-methylpyridine-3-carboxylate
PubChem CID86791542
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name1,3-thiazol-5-ylmethyl 5-methylpyridine-3-carboxylate
SMILESCc1cncc(C(=O)OCc2cncs2)c1
InChIInChI=1S/C11H10N2O2S/c1-8-2-9(4-12-3-8)11(14)15-6-10-5-13-7-16-10/h2-5,7H,6H2,1H3
InChIKeyJLKQSQYKOWCKFL-UHFFFAOYSA-N
XLogP2.20
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-thiazol-5-ylmethyl 4-amino-5-methylthiophene-2-carboxylate
CID 112643735
3-chloropropyl 5-methylpyridine-3-carboxylate
CID 150660958
1,3-thiazol-5-ylmethyl 3-acetamido-4-fluorobenzoate
CID 75518259
1,3-thiazol-5-ylmethyl 2-amino-4,5-dimethoxybenzoate
CID 115979329
1,3-thiazol-5-ylmethyl 3-amino-2-methylbenzoate
CID 112643721
2-methyl-5-[(5-methylpyridine-3-carbonyl)oxymethyl]benzoic acid
CID 129153326
1,3-thiazol-5-ylmethyl 2-methyl-5-nitrobenzoate
CID 75518281
1,3-thiazol-5-ylmethyl N-ethylcarbamate
CID 123862472
1,3-thiazol-5-ylmethyl 2-amino-5-methoxybenzoate
CID 112643715
thian-4-ylmethyl 5-methylpyridine-3-carboxylate
CID 75513605
1-ethoxyethenyl 5-methylpyridine-3-carboxylate
CID 135150396
1,3-thiazol-5-ylmethyl 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 166212931

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-ylmethyl 5-methylpyridine-3-carboxylate?
The IUPAC name of 1,3-thiazol-5-ylmethyl 5-methylpyridine-3-carboxylate (CID 86791542) is 1,3-thiazol-5-ylmethyl 5-methylpyridine-3-carboxylate.
What is the SMILES notation for 1,3-thiazol-5-ylmethyl 5-methylpyridine-3-carboxylate?
The canonical SMILES for 1,3-thiazol-5-ylmethyl 5-methylpyridine-3-carboxylate is Cc1cncc(C(=O)OCc2cncs2)c1.
What is the InChIKey of 1,3-thiazol-5-ylmethyl 5-methylpyridine-3-carboxylate?
The InChIKey is JLKQSQYKOWCKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-8-2-9(4-12-3-8)11(14)15-6-10-5-13-7-16-10/h2-5,7H,6H2,1H3.
What are the key properties of 1,3-thiazol-5-ylmethyl 5-methylpyridine-3-carboxylate?
1,3-thiazol-5-ylmethyl 5-methylpyridine-3-carboxylate has a molecular weight of 234.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-5-ylmethyl 5-methylpyridine-3-carboxylate is sourced from PubChem (CID 86791542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).