N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-methyl-2-oxopyridine-4-carboxamide

C18H18N4O3S2 — CID 55596873

IUPACN-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCC(=O)NCc1ccc(-c2nc(NC(=O)c3ccn(C)c(=O)c3)sc2C)s1
InChIInChI=1S/C18H18N4O3S2/c1-10-16(14-5-4-13(27-14)9-19-11(2)23)20-18(26-10)21-17(25)12-6-7-22(3)15(24)8-12/h4-8H,9H2,1-3H3,(H,19,23)(H,20,21,25)
InChIKeyLULFIUJHYBVRMN-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.77
Rot. Bonds5

About N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-methyl-2-oxopyridine-4-carboxamide

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 55596873) has the molecular formula C18H18N4O3S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID55596873
Molecular FormulaC18H18N4O3S2
Molecular Weight402.50 g/mol
Exact Mass402.08
IUPAC NameN-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCC(=O)NCc1ccc(-c2nc(NC(=O)c3ccn(C)c(=O)c3)sc2C)s1
InChIInChI=1S/C18H18N4O3S2/c1-10-16(14-5-4-13(27-14)9-19-11(2)23)20-18(26-10)21-17(25)12-6-7-22(3)15(24)8-12/h4-8H,9H2,1-3H3,(H,19,23)(H,20,21,25)
InChIKeyLULFIUJHYBVRMN-UHFFFAOYSA-N
XLogP2.77
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-methyl-2-oxopyridine-4-carboxamide (CID 55596873) is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-methyl-2-oxopyridine-4-carboxamide is CC(=O)NCc1ccc(-c2nc(NC(=O)c3ccn(C)c(=O)c3)sc2C)s1.
What is the InChIKey of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is LULFIUJHYBVRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S2/c1-10-16(14-5-4-13(27-14)9-19-11(2)23)20-18(26-10)21-17(25)12-6-7-22(3)15(24)8-12/h4-8H,9H2,1-3H3,(H,19,23)(H,20,21,25).
What are the key properties of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-methyl-2-oxopyridine-4-carboxamide?
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 55596873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).