3,3-dimethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide

C17H22N2OS — CID 7152314

IUPAC3,3-dimethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide
SMILESCC(C)(C)CC(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C17H22N2OS/c1-17(2,3)11-15(20)18-10-9-14-12-21-16(19-14)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,18,20)
InChIKeyVAWAVYUKQVQZQX-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.90
Rot. Bonds5

About 3,3-dimethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide

3,3-dimethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide (PubChem CID 7152314) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide
PubChem CID7152314
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name3,3-dimethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide
SMILESCC(C)(C)CC(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C17H22N2OS/c1-17(2,3)11-15(20)18-10-9-14-12-21-16(19-14)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,18,20)
InChIKeyVAWAVYUKQVQZQX-UHFFFAOYSA-N
XLogP3.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide (CID 7152314) is 3,3-dimethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide is CC(C)(C)CC(=O)NCCc1csc(-c2ccccc2)n1.
What is the InChIKey of 3,3-dimethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide?
The InChIKey is VAWAVYUKQVQZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-17(2,3)11-15(20)18-10-9-14-12-21-16(19-14)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,18,20).
What are the key properties of 3,3-dimethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide?
3,3-dimethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide has a molecular weight of 302.44 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide is sourced from PubChem (CID 7152314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).