N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide

C16H15N3O2S2 — CID 42575300

IUPACN-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1nc(-c2ccc(CCNC(=O)c3ccc[nH]c3=O)s2)cs1
InChIInChI=1S/C16H15N3O2S2/c1-10-19-13(9-22-10)14-5-4-11(23-14)6-8-18-16(21)12-3-2-7-17-15(12)20/h2-5,7,9H,6,8H2,1H3,(H,17,20)(H,18,21)
InChIKeyRTVGSINQWKAUMP-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.84
Rot. Bonds5

About N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide

N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 42575300) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID42575300
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC NameN-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1nc(-c2ccc(CCNC(=O)c3ccc[nH]c3=O)s2)cs1
InChIInChI=1S/C16H15N3O2S2/c1-10-19-13(9-22-10)14-5-4-11(23-14)6-8-18-16(21)12-3-2-7-17-15(12)20/h2-5,7,9H,6,8H2,1H3,(H,17,20)(H,18,21)
InChIKeyRTVGSINQWKAUMP-UHFFFAOYSA-N
XLogP2.84
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]naphthalene-1-carboxamide
CID 18284447
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 42575034
3,5-dimethyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide
CID 27294304
3-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide
CID 119275087
2-methoxy-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 47014812
2-chloro-5-methylsulfanyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide
CID 24533247
2-hydroxy-4-methoxy-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide
CID 42574858
2-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide;hydrochloride
CID 119275088
2-(methylamino)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 119696595
3,4-difluoro-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide
CID 33212111
2-(4-bromophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 24533251
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-thiophen-2-ylpropanamide
CID 24552699

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide (CID 42575300) is N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide is Cc1nc(-c2ccc(CCNC(=O)c3ccc[nH]c3=O)s2)cs1.
What is the InChIKey of N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is RTVGSINQWKAUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-10-19-13(9-22-10)14-5-4-11(23-14)6-8-18-16(21)12-3-2-7-17-15(12)20/h2-5,7,9H,6,8H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 42575300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).