N,1-dimethyl-6-oxo-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide

C16H15N3O2S2 — CID 70782274

IUPACN,1-dimethyl-6-oxo-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCN(Cc1csc(-c2cccs2)n1)C(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C16H15N3O2S2/c1-18-8-11(5-6-14(18)20)16(21)19(2)9-12-10-23-15(17-12)13-4-3-7-22-13/h3-8,10H,9H2,1-2H3
InChIKeyOWQAXBFBJVBWFC-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.84
Rot. Bonds4

About N,1-dimethyl-6-oxo-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide

N,1-dimethyl-6-oxo-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 70782274) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N,1-dimethyl-6-oxo-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-6-oxo-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
PubChem CID70782274
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC NameN,1-dimethyl-6-oxo-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCN(Cc1csc(-c2cccs2)n1)C(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C16H15N3O2S2/c1-18-8-11(5-6-14(18)20)16(21)19(2)9-12-10-23-15(17-12)13-4-3-7-22-13/h3-8,10H,9H2,1-2H3
InChIKeyOWQAXBFBJVBWFC-UHFFFAOYSA-N
XLogP2.84
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,5-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-3-carboxamide
CID 70730335
N-methyl-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 70728476
N-methyl-3-(1-methylpyrrol-2-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 70709279
N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 70754339
2-(ethylamino)-N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 56917368
N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 70750792
2-methoxy-N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 70744145
N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 70774862
5-N-cyclohexyl-1-cyclopropyl-3-N-methyl-4-oxo-3-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3,5-dicarboxamide
CID 42421580
N-methyl-4-sulfamoyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 56910011
N,1-dimethyl-N-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 56817769
N-methyl-2-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 171913031

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-6-oxo-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N,1-dimethyl-6-oxo-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide (CID 70782274) is N,1-dimethyl-6-oxo-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-6-oxo-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N,1-dimethyl-6-oxo-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide is CN(Cc1csc(-c2cccs2)n1)C(=O)c1ccc(=O)n(C)c1.
What is the InChIKey of N,1-dimethyl-6-oxo-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is OWQAXBFBJVBWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-18-8-11(5-6-14(18)20)16(21)19(2)9-12-10-23-15(17-12)13-4-3-7-22-13/h3-8,10H,9H2,1-2H3.
What are the key properties of N,1-dimethyl-6-oxo-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
N,1-dimethyl-6-oxo-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-6-oxo-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 70782274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).