3-[cyclopentyl-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]propanoic acid

C19H24N2O2S — CID 59520233

IUPAC3-[cyclopentyl-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]propanoic acid
SMILESCc1ccc(-c2csc(N(CCC(=O)O)C3CCCC3)n2)c(C)c1
InChIInChI=1S/C19H24N2O2S/c1-13-7-8-16(14(2)11-13)17-12-24-19(20-17)21(10-9-18(22)23)15-5-3-4-6-15/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,22,23)
InChIKeyXAKINJZMSXDKNA-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.65
Rot. Bonds6

About 3-[cyclopentyl-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]propanoic acid

3-[cyclopentyl-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]propanoic acid (PubChem CID 59520233) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 3-[cyclopentyl-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopentyl-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]propanoic acid
PubChem CID59520233
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name3-[cyclopentyl-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]propanoic acid
SMILESCc1ccc(-c2csc(N(CCC(=O)O)C3CCCC3)n2)c(C)c1
InChIInChI=1S/C19H24N2O2S/c1-13-7-8-16(14(2)11-13)17-12-24-19(20-17)21(10-9-18(22)23)15-5-3-4-6-15/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,22,23)
InChIKeyXAKINJZMSXDKNA-UHFFFAOYSA-N
XLogP4.65
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclopentyl-[4-[4-(4-methylcyclohexyl)oxyphenyl]-1,3-thiazol-2-yl]amino]propanoic acid;hydrochloride
CID 68647790
3-[cyclopropyl-(4-ethyl-1,3-thiazol-2-yl)amino]propanoic acid
CID 62961345
3-[cyclopentyl-[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]propanoic acid;hydrochloride
CID 68648226
3-[cyclopentyl-[4-[4-(3-phenylpropoxy)phenyl]-1,3-thiazol-2-yl]amino]propanoic acid
CID 59520356
sodium 3-[cyclopentyl-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]propanoate
CID 68648068
trans-(1S,2S)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 40820828
trans-(1R,2R)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 40820829
[1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropyl]methanol
CID 116966908
2-[2-[cyclopentyl(3-methylbutyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 80576396
(1S,2S,3R,4S)-3-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98288443
N,N-dicyclohexyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4176250
(1R,6R)-6-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1294705

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]propanoic acid?
The IUPAC name of 3-[cyclopentyl-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]propanoic acid (CID 59520233) is 3-[cyclopentyl-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopentyl-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopentyl-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]propanoic acid is Cc1ccc(-c2csc(N(CCC(=O)O)C3CCCC3)n2)c(C)c1.
What is the InChIKey of 3-[cyclopentyl-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]propanoic acid?
The InChIKey is XAKINJZMSXDKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-13-7-8-16(14(2)11-13)17-12-24-19(20-17)21(10-9-18(22)23)15-5-3-4-6-15/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,22,23).
What are the key properties of 3-[cyclopentyl-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]propanoic acid?
3-[cyclopentyl-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]propanoic acid has a molecular weight of 344.48 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]propanoic acid is sourced from PubChem (CID 59520233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).