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

C17H22N2OS — CID 42936679

IUPAC2-methyl-N-[1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide
SMILESCCC(C)C(=O)NC(C)c1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C17H22N2OS/c1-5-11(2)17(20)18-12(3)14-6-8-15(9-7-14)16-10-21-13(4)19-16/h6-12H,5H2,1-4H3,(H,18,20)
InChIKeyQZKUVUUHWRICJU-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.34
Rot. Bonds5

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

2-methyl-N-[1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide (PubChem CID 42936679) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-methyl-N-[1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide
PubChem CID42936679
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name2-methyl-N-[1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide
SMILESCCC(C)C(=O)NC(C)c1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C17H22N2OS/c1-5-11(2)17(20)18-12(3)14-6-8-15(9-7-14)16-10-21-13(4)19-16/h6-12H,5H2,1-4H3,(H,18,20)
InChIKeyQZKUVUUHWRICJU-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide
CID 86995839
(2S,3S)-2-amino-3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 61274193
2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 55096711
2-(aminomethyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 65228872
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
(2S)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
CID 7366669
N-[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 898173
2-amino-4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 61273999
N-hydroxy-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 167927329
2-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide
CID 896069
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-phenylphenyl)ethyl]prop-2-enamide
CID 24683998
methyl 2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanoate
CID 66171884

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide?
The IUPAC name of 2-methyl-N-[1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide (CID 42936679) is 2-methyl-N-[1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide.
What is the SMILES notation for 2-methyl-N-[1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide?
The canonical SMILES for 2-methyl-N-[1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide is CCC(C)C(=O)NC(C)c1ccc(-c2csc(C)n2)cc1.
What is the InChIKey of 2-methyl-N-[1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide?
The InChIKey is QZKUVUUHWRICJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-5-11(2)17(20)18-12(3)14-6-8-15(9-7-14)16-10-21-13(4)19-16/h6-12H,5H2,1-4H3,(H,18,20).
What are the key properties of 2-methyl-N-[1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide?
2-methyl-N-[1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide has a molecular weight of 302.44 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide is sourced from PubChem (CID 42936679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).