N-[4-(3,3-dimethylbutanoylamino)phenyl]-1,3-thiazole-2-carboxamide

C16H19N3O2S — CID 51050121

IUPACN-[4-(3,3-dimethylbutanoylamino)phenyl]-1,3-thiazole-2-carboxamide
SMILESCC(C)(C)CC(=O)Nc1ccc(NC(=O)c2nccs2)cc1
InChIInChI=1S/C16H19N3O2S/c1-16(2,3)10-13(20)18-11-4-6-12(7-5-11)19-14(21)15-17-8-9-22-15/h4-9H,10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyQAZVTPXFNMAMGQ-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.77
Rot. Bonds4

About N-[4-(3,3-dimethylbutanoylamino)phenyl]-1,3-thiazole-2-carboxamide

N-[4-(3,3-dimethylbutanoylamino)phenyl]-1,3-thiazole-2-carboxamide (PubChem CID 51050121) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[4-(3,3-dimethylbutanoylamino)phenyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3,3-dimethylbutanoylamino)phenyl]-1,3-thiazole-2-carboxamide
PubChem CID51050121
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[4-(3,3-dimethylbutanoylamino)phenyl]-1,3-thiazole-2-carboxamide
SMILESCC(C)(C)CC(=O)Nc1ccc(NC(=O)c2nccs2)cc1
InChIInChI=1S/C16H19N3O2S/c1-16(2,3)10-13(20)18-11-4-6-12(7-5-11)19-14(21)15-17-8-9-22-15/h4-9H,10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyQAZVTPXFNMAMGQ-UHFFFAOYSA-N
XLogP3.77
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 16094675
N-[6-(2-aminoanilino)-6-oxohexyl]-1,3-thiazole-2-carboxamide
CID 45137428
N-[6-(2-aminoanilino)-6-oxohexyl]-5-methyl-1,3-thiazole-2-carboxamide
CID 60207629
N-(3-methylphenyl)-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide
CID 24817466
N-phenyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide
CID 42460383
N-[6-[(2-Amino-4-fluorophenyl)amino]-6-oxohexyl]-2-thiazolecarboxamide
CID 45136988
N-[5-(2-aminoanilino)-5-oxopentyl]-5-methyl-1,3-thiazole-2-carboxamide
CID 45137897
N-[4-(2,2-dimethylpropylcarbamoyl)phenyl]-1,3-thiazole-2-carboxamide
CID 51050122
N-(4-fluorophenyl)-2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 71938132
N-methyl-N-[[3-[[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]amino]phenyl]methyl]acetamide
CID 71982861
3-[2-[(2-Tert-butyl-1,3-thiazol-5-yl)methylamino]phenyl]sulfanylpropanamide
CID 75385359
6-Acetyl-9-phenyl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 118744113

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,3-dimethylbutanoylamino)phenyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[4-(3,3-dimethylbutanoylamino)phenyl]-1,3-thiazole-2-carboxamide (CID 51050121) is N-[4-(3,3-dimethylbutanoylamino)phenyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[4-(3,3-dimethylbutanoylamino)phenyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[4-(3,3-dimethylbutanoylamino)phenyl]-1,3-thiazole-2-carboxamide is CC(C)(C)CC(=O)Nc1ccc(NC(=O)c2nccs2)cc1.
What is the InChIKey of N-[4-(3,3-dimethylbutanoylamino)phenyl]-1,3-thiazole-2-carboxamide?
The InChIKey is QAZVTPXFNMAMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-16(2,3)10-13(20)18-11-4-6-12(7-5-11)19-14(21)15-17-8-9-22-15/h4-9H,10H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-[4-(3,3-dimethylbutanoylamino)phenyl]-1,3-thiazole-2-carboxamide?
N-[4-(3,3-dimethylbutanoylamino)phenyl]-1,3-thiazole-2-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,3-dimethylbutanoylamino)phenyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 51050121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).