N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

C14H17N3O2S — CID 125157588

IUPACN-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N[C@@H](C)c2nc(C)sc2C)c[nH]1
InChIInChI=1S/C14H17N3O2S/c1-7-5-12(18)11(6-15-7)14(19)16-8(2)13-9(3)20-10(4)17-13/h5-6,8H,1-4H3,(H,15,18)(H,16,19)/t8-/m0/s1
InChIKeyHTKFUHJXNXMDQH-QMMMGPOBSA-N
MW291.38 g/mol
LogP2.25
Rot. Bonds3

About N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 125157588) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID125157588
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N[C@@H](C)c2nc(C)sc2C)c[nH]1
InChIInChI=1S/C14H17N3O2S/c1-7-5-12(18)11(6-15-7)14(19)16-8(2)13-9(3)20-10(4)17-13/h5-6,8H,1-4H3,(H,15,18)(H,16,19)/t8-/m0/s1
InChIKeyHTKFUHJXNXMDQH-QMMMGPOBSA-N
XLogP2.25
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 125157588) is N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)N[C@@H](C)c2nc(C)sc2C)c[nH]1.
What is the InChIKey of N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is HTKFUHJXNXMDQH-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-7-5-12(18)11(6-15-7)14(19)16-8(2)13-9(3)20-10(4)17-13/h5-6,8H,1-4H3,(H,15,18)(H,16,19)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 125157588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).