N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(2,4-dimethylphenyl)propanamide

C17H20N2OS — CID 32868420

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2nc(C3CC3)cs2)c(C)c1
InChIInChI=1S/C17H20N2OS/c1-11-3-4-13(12(2)9-11)7-8-16(20)19-17-18-15(10-21-17)14-5-6-14/h3-4,9-10,14H,5-8H2,1-2H3,(H,18,19,20)
InChIKeyWSMXYJOCCQLQDV-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.21
Rot. Bonds5

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(2,4-dimethylphenyl)propanamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(2,4-dimethylphenyl)propanamide (PubChem CID 32868420) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(2,4-dimethylphenyl)propanamide
PubChem CID32868420
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2nc(C3CC3)cs2)c(C)c1
InChIInChI=1S/C17H20N2OS/c1-11-3-4-13(12(2)9-11)7-8-16(20)19-17-18-15(10-21-17)14-5-6-14/h3-4,9-10,14H,5-8H2,1-2H3,(H,18,19,20)
InChIKeyWSMXYJOCCQLQDV-UHFFFAOYSA-N
XLogP4.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[3-(2,4-dimethylphenyl)propanoylamino]-1,3-thiazole-4-carboxylate
CID 51294869
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2,5-dimethylphenoxy)acetamide
CID 33301642
3-(2-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide
CID 32868458
4-[2-[3-(2,4-dimethylphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 55530961
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
CID 32866868
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide
CID 61482373
2-(tert-butylamino)-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide
CID 47842528
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 32865071
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 32865339
N-(4-cyclohexyl-1,3-thiazol-2-yl)propanamide
CID 5141035
2-(2-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide
CID 32863339
3-(2,4-dimethylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 24649218

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(2,4-dimethylphenyl)propanamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(2,4-dimethylphenyl)propanamide (CID 32868420) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(2,4-dimethylphenyl)propanamide is Cc1ccc(CCC(=O)Nc2nc(C3CC3)cs2)c(C)c1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(2,4-dimethylphenyl)propanamide?
The InChIKey is WSMXYJOCCQLQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-11-3-4-13(12(2)9-11)7-8-16(20)19-17-18-15(10-21-17)14-5-6-14/h3-4,9-10,14H,5-8H2,1-2H3,(H,18,19,20).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(2,4-dimethylphenyl)propanamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(2,4-dimethylphenyl)propanamide has a molecular weight of 300.43 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 32868420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).