4-(butanoylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C15H17N3O2S — CID 7326262

IUPAC4-(butanoylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCCCC(=O)Nc1ccc(C(=O)Nc2nc(C)cs2)cc1
InChIInChI=1S/C15H17N3O2S/c1-3-4-13(19)17-12-7-5-11(6-8-12)14(20)18-15-16-10(2)9-21-15/h5-9H,3-4H2,1-2H3,(H,17,19)(H,16,18,20)
InChIKeyMHHSIBWSCYZMNV-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.44
Rot. Bonds5

About 4-(butanoylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide

4-(butanoylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 7326262) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 4-(butanoylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(butanoylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID7326262
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name4-(butanoylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCCCC(=O)Nc1ccc(C(=O)Nc2nc(C)cs2)cc1
InChIInChI=1S/C15H17N3O2S/c1-3-4-13(19)17-12-7-5-11(6-8-12)14(20)18-15-16-10(2)9-21-15/h5-9H,3-4H2,1-2H3,(H,17,19)(H,16,18,20)
InChIKeyMHHSIBWSCYZMNV-UHFFFAOYSA-N
XLogP3.44
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 62173171
N-(4-bromophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)butanediamide
CID 71946726
4-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17361667
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 683754
4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 47106736
4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 885062
N-[4-[(2R)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanoyl]phenyl]butanamide
CID 29315538
N-(4-methyl-1,3-thiazol-2-yl)tetradecanamide
CID 139176889
N-[5-(butanoylamino)-1,3-benzothiazol-2-yl]-4-methylbenzamide
CID 46328837
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749
4-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2566426
N-(4-methyl-1,3-thiazol-2-yl)-5-propylthiophene-3-carboxamide
CID 25237549

Frequently Asked Questions

What is the IUPAC name of 4-(butanoylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(butanoylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 7326262) is 4-(butanoylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(butanoylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(butanoylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide is CCCC(=O)Nc1ccc(C(=O)Nc2nc(C)cs2)cc1.
What is the InChIKey of 4-(butanoylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is MHHSIBWSCYZMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-3-4-13(19)17-12-7-5-11(6-8-12)14(20)18-15-16-10(2)9-21-15/h5-9H,3-4H2,1-2H3,(H,17,19)(H,16,18,20).
What are the key properties of 4-(butanoylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
4-(butanoylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 303.39 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butanoylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 7326262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).