N-[2-(5-benzyl-4-methyl-1,3-thiazol-2-yl)ethyl]-3-methylbutanamide

C18H24N2OS — CID 110645528

IUPACN-[2-(5-benzyl-4-methyl-1,3-thiazol-2-yl)ethyl]-3-methylbutanamide
SMILESCc1nc(CCNC(=O)CC(C)C)sc1Cc1ccccc1
InChIInChI=1S/C18H24N2OS/c1-13(2)11-17(21)19-10-9-18-20-14(3)16(22-18)12-15-7-5-4-6-8-15/h4-8,13H,9-12H2,1-3H3,(H,19,21)
InChIKeyWXNREHSXZVZBSD-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.75
Rot. Bonds7

About N-[2-(5-benzyl-4-methyl-1,3-thiazol-2-yl)ethyl]-3-methylbutanamide

N-[2-(5-benzyl-4-methyl-1,3-thiazol-2-yl)ethyl]-3-methylbutanamide (PubChem CID 110645528) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is N-[2-(5-benzyl-4-methyl-1,3-thiazol-2-yl)ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(5-benzyl-4-methyl-1,3-thiazol-2-yl)ethyl]-3-methylbutanamide
PubChem CID110645528
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC NameN-[2-(5-benzyl-4-methyl-1,3-thiazol-2-yl)ethyl]-3-methylbutanamide
SMILESCc1nc(CCNC(=O)CC(C)C)sc1Cc1ccccc1
InChIInChI=1S/C18H24N2OS/c1-13(2)11-17(21)19-10-9-18-20-14(3)16(22-18)12-15-7-5-4-6-8-15/h4-8,13H,9-12H2,1-3H3,(H,19,21)
InChIKeyWXNREHSXZVZBSD-UHFFFAOYSA-N
XLogP3.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(5-benzyl-4-methyl-1,3-thiazol-2-yl)ethyl]-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)acetamide
CID 110372288
2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)acetamide
CID 84564619
N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-2-ethylbutanamide
CID 110421255
2-benzyl-4-methyl-N-(3-methylbutyl)-1,3-thiazole-5-carboxamide
CID 39084160
2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanol
CID 83292082
1-benzyl-3-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]urea
CID 110645409
N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-3-(2-methoxyphenyl)propanamide
CID 110421321
N-[2-(5-benzyl-4-methyl-1,3-thiazol-2-yl)ethyl]-3-methylbenzenesulfonamide
CID 110645576
N-[[4-methyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62402342
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide
CID 43836367
3-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide
CID 60568920
4-methyl-2-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazole-5-carboxylic acid
CID 9154413

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-benzyl-4-methyl-1,3-thiazol-2-yl)ethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(5-benzyl-4-methyl-1,3-thiazol-2-yl)ethyl]-3-methylbutanamide (CID 110645528) is N-[2-(5-benzyl-4-methyl-1,3-thiazol-2-yl)ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(5-benzyl-4-methyl-1,3-thiazol-2-yl)ethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(5-benzyl-4-methyl-1,3-thiazol-2-yl)ethyl]-3-methylbutanamide is Cc1nc(CCNC(=O)CC(C)C)sc1Cc1ccccc1.
What is the InChIKey of N-[2-(5-benzyl-4-methyl-1,3-thiazol-2-yl)ethyl]-3-methylbutanamide?
The InChIKey is WXNREHSXZVZBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-13(2)11-17(21)19-10-9-18-20-14(3)16(22-18)12-15-7-5-4-6-8-15/h4-8,13H,9-12H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(5-benzyl-4-methyl-1,3-thiazol-2-yl)ethyl]-3-methylbutanamide?
N-[2-(5-benzyl-4-methyl-1,3-thiazol-2-yl)ethyl]-3-methylbutanamide has a molecular weight of 316.47 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-benzyl-4-methyl-1,3-thiazol-2-yl)ethyl]-3-methylbutanamide is sourced from PubChem (CID 110645528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).