2-(2-methylpentanoylamino)-N-(1,3-thiazol-2-yl)benzamide

C16H19N3O2S — CID 17358961

IUPAC2-(2-methylpentanoylamino)-N-(1,3-thiazol-2-yl)benzamide
SMILESCCCC(C)C(=O)Nc1ccccc1C(=O)Nc1nccs1
InChIInChI=1S/C16H19N3O2S/c1-3-6-11(2)14(20)18-13-8-5-4-7-12(13)15(21)19-16-17-9-10-22-16/h4-5,7-11H,3,6H2,1-2H3,(H,18,20)(H,17,19,21)
InChIKeyNCEYLVBKHPHKQP-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.77
Rot. Bonds6

About 2-(2-methylpentanoylamino)-N-(1,3-thiazol-2-yl)benzamide

2-(2-methylpentanoylamino)-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 17358961) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-(2-methylpentanoylamino)-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-(2-methylpentanoylamino)-N-(1,3-thiazol-2-yl)benzamide
PubChem CID17358961
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name2-(2-methylpentanoylamino)-N-(1,3-thiazol-2-yl)benzamide
SMILESCCCC(C)C(=O)Nc1ccccc1C(=O)Nc1nccs1
InChIInChI=1S/C16H19N3O2S/c1-3-6-11(2)14(20)18-13-8-5-4-7-12(13)15(21)19-16-17-9-10-22-16/h4-5,7-11H,3,6H2,1-2H3,(H,18,20)(H,17,19,21)
InChIKeyNCEYLVBKHPHKQP-UHFFFAOYSA-N
XLogP3.77
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 7302765
2-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 63107522
2-[2-(4-methylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361272
2-[2-(4-chlorophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361278
N-(2-acetylphenyl)-2-methylpentanamide
CID 43183491
2-[(2-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361063
2-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7295168
methyl 2-(2-methylpentanoylamino)benzoate
CID 2904418
3,5-dimethoxy-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 17361080
2-[[2-(4-tert-butylphenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361130
3-[[(2R)-2-methylbutanoyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 27262078
2-(4-methoxyanilino)-N-(1,3-thiazol-2-yl)benzamide
CID 52612392

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-(2-methylpentanoylamino)-N-(1,3-thiazol-2-yl)benzamide (CID 17358961) is 2-(2-methylpentanoylamino)-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-(2-methylpentanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-(2-methylpentanoylamino)-N-(1,3-thiazol-2-yl)benzamide is CCCC(C)C(=O)Nc1ccccc1C(=O)Nc1nccs1.
What is the InChIKey of 2-(2-methylpentanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is NCEYLVBKHPHKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-3-6-11(2)14(20)18-13-8-5-4-7-12(13)15(21)19-16-17-9-10-22-16/h4-5,7-11H,3,6H2,1-2H3,(H,18,20)(H,17,19,21).
What are the key properties of 2-(2-methylpentanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
2-(2-methylpentanoylamino)-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 317.41 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentanoylamino)-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 17358961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).