6-methoxy-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

C14H12N4O2S — CID 36537742

IUPAC6-methoxy-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)cn1
InChIInChI=1S/C14H12N4O2S/c1-20-12-5-4-9(7-16-12)13(19)18-14-17-11(8-21-14)10-3-2-6-15-10/h2-8,15H,1H3,(H,17,18,19)
InChIKeyFIFPJFNTFFBKJJ-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.79
Rot. Bonds4

About 6-methoxy-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

6-methoxy-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 36537742) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 6-methoxy-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
PubChem CID36537742
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name6-methoxy-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)cn1
InChIInChI=1S/C14H12N4O2S/c1-20-12-5-4-9(7-16-12)13(19)18-14-17-11(8-21-14)10-3-2-6-15-10/h2-8,15H,1H3,(H,17,18,19)
InChIKeyFIFPJFNTFFBKJJ-UHFFFAOYSA-N
XLogP2.79
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 51260316
2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
CID 51094859
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide
CID 17416997
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide
CID 17455400
1,2-dimethyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide
CID 51101287
methyl 2-[2-[(6-methoxypyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 38985431
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide
CID 17406432
N-(1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 17476486
ethyl 1-[4-[[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 112821014
3,5-dimethyl-4-oxo-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 36537520
6-methoxy-N-phenylpyridine-3-carboxamide
CID 44512975
(6-methoxy-3-pyridinyl)-(1H-pyrrol-2-yl)methanone
CID 130594883

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of 6-methoxy-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 36537742) is 6-methoxy-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is COc1ccc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)cn1.
What is the InChIKey of 6-methoxy-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is FIFPJFNTFFBKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-20-12-5-4-9(7-16-12)13(19)18-14-17-11(8-21-14)10-3-2-6-15-10/h2-8,15H,1H3,(H,17,18,19).
What are the key properties of 6-methoxy-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
6-methoxy-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 36537742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).