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

C16H19N3O2S — CID 11771503

IUPAC4-(3,3-dimethylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide
SMILESCC(C)(C)CC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1
InChIInChI=1S/C16H19N3O2S/c1-16(2,3)10-13(20)18-12-6-4-11(5-7-12)14(21)19-15-17-8-9-22-15/h4-9H,10H2,1-3H3,(H,18,20)(H,17,19,21)
InChIKeyNXJOSCHYVJGECZ-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.77
Rot. Bonds4

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

4-(3,3-dimethylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 11771503) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 4-(3,3-dimethylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(3,3-dimethylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide
PubChem CID11771503
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name4-(3,3-dimethylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide
SMILESCC(C)(C)CC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1
InChIInChI=1S/C16H19N3O2S/c1-16(2,3)10-13(20)18-12-6-4-11(5-7-12)14(21)19-15-17-8-9-22-15/h4-9H,10H2,1-3H3,(H,18,20)(H,17,19,21)
InChIKeyNXJOSCHYVJGECZ-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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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(3,3-dimethylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide (CID 11771503) is 4-(3,3-dimethylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(3,3-dimethylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(3,3-dimethylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide is CC(C)(C)CC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-(3,3-dimethylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is NXJOSCHYVJGECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-16(2,3)10-13(20)18-12-6-4-11(5-7-12)14(21)19-15-17-8-9-22-15/h4-9H,10H2,1-3H3,(H,18,20)(H,17,19,21).
What are the key properties of 4-(3,3-dimethylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
4-(3,3-dimethylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide 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 4-(3,3-dimethylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 11771503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).