methyl 6-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyridine-3-carboxylate

C18H15N3O3S — CID 39189291

IUPACmethyl 6-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2nc(C)c(-c3ccccc3)s2)nc1
InChIInChI=1S/C18H15N3O3S/c1-11-15(12-6-4-3-5-7-12)25-18(20-11)21-16(22)14-9-8-13(10-19-14)17(23)24-2/h3-10H,1-2H3,(H,20,21,22)
InChIKeyZQURNAHGSHDYAX-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.55
Rot. Bonds4

About methyl 6-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyridine-3-carboxylate

methyl 6-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyridine-3-carboxylate (PubChem CID 39189291) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is methyl 6-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyridine-3-carboxylate
PubChem CID39189291
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Namemethyl 6-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2nc(C)c(-c3ccccc3)s2)nc1
InChIInChI=1S/C18H15N3O3S/c1-11-15(12-6-4-3-5-7-12)25-18(20-11)21-16(22)14-9-8-13(10-19-14)17(23)24-2/h3-10H,1-2H3,(H,20,21,22)
InChIKeyZQURNAHGSHDYAX-UHFFFAOYSA-N
XLogP3.55
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(methoxymethyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide
CID 37201205
N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)furan-3-carboxamide
CID 39189427
3,5-diacetamido-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide
CID 37200709
[4-methyl-2-[(2-phenylpyrimidine-5-carbonyl)amino]-1,3-thiazol-5-yl] hydrogen carbonate
CID 90300918
methyl 6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate
CID 43049637
methyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-3-carboxylate
CID 31695014
2-chloro-4,5-difluoro-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide
CID 39189888
4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 1207301
1-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)indole-3-carboxamide
CID 55993689
3-(methanesulfonamido)-4-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide
CID 55635987
methyl 4-[[5-(N-methylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109197694
4-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31154800

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyridine-3-carboxylate (CID 39189291) is methyl 6-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)Nc2nc(C)c(-c3ccccc3)s2)nc1.
What is the InChIKey of methyl 6-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyridine-3-carboxylate?
The InChIKey is ZQURNAHGSHDYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-11-15(12-6-4-3-5-7-12)25-18(20-11)21-16(22)14-9-8-13(10-19-14)17(23)24-2/h3-10H,1-2H3,(H,20,21,22).
What are the key properties of methyl 6-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyridine-3-carboxylate?
methyl 6-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyridine-3-carboxylate has a molecular weight of 353.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 39189291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).