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

C17H22N2OS — CID 51248570

IUPAC3-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide
SMILESCc1nc(-c2ccc(CCNC(=O)CC(C)C)cc2)cs1
InChIInChI=1S/C17H22N2OS/c1-12(2)10-17(20)18-9-8-14-4-6-15(7-5-14)16-11-21-13(3)19-16/h4-7,11-12H,8-10H2,1-3H3,(H,18,20)
InChIKeyJJCZBESALBWBAW-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.82
Rot. Bonds6

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

3-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide (PubChem CID 51248570) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 3-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide
PubChem CID51248570
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name3-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide
SMILESCc1nc(-c2ccc(CCNC(=O)CC(C)C)cc2)cs1
InChIInChI=1S/C17H22N2OS/c1-12(2)10-17(20)18-9-8-14-4-6-15(7-5-14)16-11-21-13(3)19-16/h4-7,11-12H,8-10H2,1-3H3,(H,18,20)
InChIKeyJJCZBESALBWBAW-UHFFFAOYSA-N
XLogP3.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide?
The IUPAC name of 3-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide (CID 51248570) is 3-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide?
The canonical SMILES for 3-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide is Cc1nc(-c2ccc(CCNC(=O)CC(C)C)cc2)cs1.
What is the InChIKey of 3-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide?
The InChIKey is JJCZBESALBWBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-12(2)10-17(20)18-9-8-14-4-6-15(7-5-14)16-11-21-13(3)19-16/h4-7,11-12H,8-10H2,1-3H3,(H,18,20).
What are the key properties of 3-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide?
3-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide has a molecular weight of 302.44 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide is sourced from PubChem (CID 51248570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).