6-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide

C20H20N4O3S — CID 16881648

IUPAC6-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)Cc2csc(NC(=O)c3ccc(=O)[nH]c3)n2)cc1
InChIInChI=1S/C20H20N4O3S/c1-12(2)13-3-6-15(7-4-13)22-18(26)9-16-11-28-20(23-16)24-19(27)14-5-8-17(25)21-10-14/h3-8,10-12H,9H2,1-2H3,(H,21,25)(H,22,26)(H,23,24,27)
InChIKeyMDACSTQIYWORRK-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.39
Rot. Bonds6

About 6-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide

6-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide (PubChem CID 16881648) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 6-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide
PubChem CID16881648
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name6-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)Cc2csc(NC(=O)c3ccc(=O)[nH]c3)n2)cc1
InChIInChI=1S/C20H20N4O3S/c1-12(2)13-3-6-15(7-4-13)22-18(26)9-16-11-28-20(23-16)24-19(27)14-5-8-17(25)21-10-14/h3-8,10-12H,9H2,1-2H3,(H,21,25)(H,22,26)(H,23,24,27)
InChIKeyMDACSTQIYWORRK-UHFFFAOYSA-N
XLogP3.39
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 16881607
N-[4-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 16881678
N-[4-[2-(2-carbamoylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 16881715
N-[4-[3-(3,4-dimethoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 27378495
N-[4-[2-(azepan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 16881593
2-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
CID 73338898
N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 41228555
4-[[2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 27548819
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 20930709
4-chloro-N-[4-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567938
N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 26841922
methyl 4-[[2-(2-acetamido-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 41227458

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide (CID 16881648) is 6-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide is CC(C)c1ccc(NC(=O)Cc2csc(NC(=O)c3ccc(=O)[nH]c3)n2)cc1.
What is the InChIKey of 6-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide?
The InChIKey is MDACSTQIYWORRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-12(2)13-3-6-15(7-4-13)22-18(26)9-16-11-28-20(23-16)24-19(27)14-5-8-17(25)21-10-14/h3-8,10-12H,9H2,1-2H3,(H,21,25)(H,22,26)(H,23,24,27).
What are the key properties of 6-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide?
6-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 3.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 16881648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).