N-cyclopentyl-N'-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]butanediamide

C21H27N3O2S — CID 156585824

IUPACN-cyclopentyl-N'-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]butanediamide
SMILESCc1ccc(C)c(-c2nc(NC(=O)CCC(=O)NC3CCCC3)sc2C)c1
InChIInChI=1S/C21H27N3O2S/c1-13-8-9-14(2)17(12-13)20-15(3)27-21(24-20)23-19(26)11-10-18(25)22-16-6-4-5-7-16/h8-9,12,16H,4-7,10-11H2,1-3H3,(H,22,25)(H,23,24,26)
InChIKeyRUVMZXNPCJCMIK-UHFFFAOYSA-N
MW385.53 g/mol
LogP4.51
Rot. Bonds6

About N-cyclopentyl-N'-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]butanediamide

N-cyclopentyl-N'-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]butanediamide (PubChem CID 156585824) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-cyclopentyl-N'-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]butanediamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]butanediamide
PubChem CID156585824
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC NameN-cyclopentyl-N'-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]butanediamide
SMILESCc1ccc(C)c(-c2nc(NC(=O)CCC(=O)NC3CCCC3)sc2C)c1
InChIInChI=1S/C21H27N3O2S/c1-13-8-9-14(2)17(12-13)20-15(3)27-21(24-20)23-19(26)11-10-18(25)22-16-6-4-5-7-16/h8-9,12,16H,4-7,10-11H2,1-3H3,(H,22,25)(H,23,24,26)
InChIKeyRUVMZXNPCJCMIK-UHFFFAOYSA-N
XLogP4.51
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclopentyl-N'-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]butanediamide 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-[[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 87310875
4-(2,5-dimethylphenyl)-N,5-dimethyl-1,3-thiazol-2-amine
CID 8963113
N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 774248
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678
1-cyclohexyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea
CID 898347
N-[4-(2,5-dimethylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 126210588
3-(N-acetyl-2,5-dimethylanilino)-N-cyclopentylpropanamide
CID 113124295
3-[[4-(cyclopentylamino)-4-oxobutanoyl]amino]-4-methylbenzoic acid
CID 91646228
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 19172938
N-cyclohexyl-2-(2,4-dimethylphenyl)acetamide
CID 56922648
1-acetyl-N-[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 17143902
N-[1-[[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 4842765

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]butanediamide?
The IUPAC name of N-cyclopentyl-N'-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]butanediamide (CID 156585824) is N-cyclopentyl-N'-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]butanediamide.
What is the SMILES notation for N-cyclopentyl-N'-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]butanediamide?
The canonical SMILES for N-cyclopentyl-N'-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]butanediamide is Cc1ccc(C)c(-c2nc(NC(=O)CCC(=O)NC3CCCC3)sc2C)c1.
What is the InChIKey of N-cyclopentyl-N'-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]butanediamide?
The InChIKey is RUVMZXNPCJCMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-13-8-9-14(2)17(12-13)20-15(3)27-21(24-20)23-19(26)11-10-18(25)22-16-6-4-5-7-16/h8-9,12,16H,4-7,10-11H2,1-3H3,(H,22,25)(H,23,24,26).
What are the key properties of N-cyclopentyl-N'-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]butanediamide?
N-cyclopentyl-N'-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]butanediamide has a molecular weight of 385.53 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]butanediamide is sourced from PubChem (CID 156585824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).