6-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid

C12H11N3O3S — CID 106704146

IUPAC6-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
SMILESCc1cnc(CNC(=O)c2ccc(C(=O)O)cn2)s1
InChIInChI=1S/C12H11N3O3S/c1-7-4-14-10(19-7)6-15-11(16)9-3-2-8(5-13-9)12(17)18/h2-5H,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyLMOVIVPBGMJKED-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.47
Rot. Bonds4

About 6-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid

6-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid (PubChem CID 106704146) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 6-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
PubChem CID106704146
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name6-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
SMILESCc1cnc(CNC(=O)c2ccc(C(=O)O)cn2)s1
InChIInChI=1S/C12H11N3O3S/c1-7-4-14-10(19-7)6-15-11(16)9-3-2-8(5-13-9)12(17)18/h2-5H,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyLMOVIVPBGMJKED-UHFFFAOYSA-N
XLogP1.47
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 110738921
N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 110746418
5-chloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrazine-2-carboxamide
CID 107257898
N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrazine-2-carboxamide
CID 110746419
6-[(2-ethylphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 64695374
6-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 114701610
4-bromo-3-hydroxy-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 103873486
1-N-methyl-3-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide
CID 68670537
1-chloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]isoquinoline-3-carboxamide
CID 103822717
6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid
CID 43427330
(5-methyl-1,3-thiazol-2-yl)methylurea
CID 103708250
5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 113245137

Frequently Asked Questions

What is the IUPAC name of 6-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid (CID 106704146) is 6-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid is Cc1cnc(CNC(=O)c2ccc(C(=O)O)cn2)s1.
What is the InChIKey of 6-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid?
The InChIKey is LMOVIVPBGMJKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c1-7-4-14-10(19-7)6-15-11(16)9-3-2-8(5-13-9)12(17)18/h2-5H,6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 6-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid?
6-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid has a molecular weight of 277.31 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 106704146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).