4-(3,3-dimethylbutanoylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide

C18H23N3O2S — CID 11221675

IUPAC4-(3,3-dimethylbutanoylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide
SMILESCc1nc(NC(=O)c2ccc(NC(=O)CC(C)(C)C)cc2)sc1C
InChIInChI=1S/C18H23N3O2S/c1-11-12(2)24-17(19-11)21-16(23)13-6-8-14(9-7-13)20-15(22)10-18(3,4)5/h6-9H,10H2,1-5H3,(H,20,22)(H,19,21,23)
InChIKeyYETLEIOGLMOZOZ-UHFFFAOYSA-N
MW345.47 g/mol
LogP4.39
Rot. Bonds4

About 4-(3,3-dimethylbutanoylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide

4-(3,3-dimethylbutanoylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide (PubChem CID 11221675) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 4-(3,3-dimethylbutanoylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(3,3-dimethylbutanoylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide
PubChem CID11221675
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name4-(3,3-dimethylbutanoylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide
SMILESCc1nc(NC(=O)c2ccc(NC(=O)CC(C)(C)C)cc2)sc1C
InChIInChI=1S/C18H23N3O2S/c1-11-12(2)24-17(19-11)21-16(23)13-6-8-14(9-7-13)20-15(22)10-18(3,4)5/h6-9H,10H2,1-5H3,(H,20,22)(H,19,21,23)
InChIKeyYETLEIOGLMOZOZ-UHFFFAOYSA-N
XLogP4.39
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 54.39
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-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(3,3-dimethylbutanoylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide (CID 11221675) is 4-(3,3-dimethylbutanoylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(3,3-dimethylbutanoylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(3,3-dimethylbutanoylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide is Cc1nc(NC(=O)c2ccc(NC(=O)CC(C)(C)C)cc2)sc1C.
What is the InChIKey of 4-(3,3-dimethylbutanoylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is YETLEIOGLMOZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-11-12(2)24-17(19-11)21-16(23)13-6-8-14(9-7-13)20-15(22)10-18(3,4)5/h6-9H,10H2,1-5H3,(H,20,22)(H,19,21,23).
What are the key properties of 4-(3,3-dimethylbutanoylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide?
4-(3,3-dimethylbutanoylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 345.47 g/mol, XLogP of 4.39, 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-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 11221675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).