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

C24H27ClN2O3S — CID 68648226

IUPAC3-[cyclopentyl-[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]propanoic acid;hydrochloride
SMILESCl.O=C(O)CCN(c1nc(-c2ccc(OCc3ccccc3)cc2)cs1)C1CCCC1
InChIInChI=1S/C24H26N2O3S.ClH/c27-23(28)14-15-26(20-8-4-5-9-20)24-25-22(17-30-24)19-10-12-21(13-11-19)29-16-18-6-2-1-3-7-18;/h1-3,6-7,10-13,17,20H,4-5,8-9,14-16H2,(H,27,28);1H
InChIKeyNHDLEAYXWVLTGU-UHFFFAOYSA-N
MW459.01 g/mol
LogP6.03
Rot. Bonds9

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

3-[cyclopentyl-[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]propanoic acid;hydrochloride (PubChem CID 68648226) has the molecular formula C24H27ClN2O3S and a molecular weight of 459.01 g/mol. Its IUPAC name is 3-[cyclopentyl-[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[cyclopentyl-[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]propanoic acid;hydrochloride
PubChem CID68648226
Molecular FormulaC24H27ClN2O3S
Molecular Weight459.01 g/mol
Exact Mass458.14
IUPAC Name3-[cyclopentyl-[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]propanoic acid;hydrochloride
SMILESCl.O=C(O)CCN(c1nc(-c2ccc(OCc3ccccc3)cc2)cs1)C1CCCC1
InChIInChI=1S/C24H26N2O3S.ClH/c27-23(28)14-15-26(20-8-4-5-9-20)24-25-22(17-30-24)19-10-12-21(13-11-19)29-16-18-6-2-1-3-7-18;/h1-3,6-7,10-13,17,20H,4-5,8-9,14-16H2,(H,27,28);1H
InChIKeyNHDLEAYXWVLTGU-UHFFFAOYSA-N
XLogP6.03
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.01
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[cyclopentyl-[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]propanoic acid;hydrochloride 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

3-[cyclopentyl-[4-[4-(3-phenylpropoxy)phenyl]-1,3-thiazol-2-yl]amino]propanoic acid
CID 59520356
3-[cyclopentyl-[4-[4-(4-methylcyclohexyl)oxyphenyl]-1,3-thiazol-2-yl]amino]propanoic acid;hydrochloride
CID 68647790
3-[cyclopentyl-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]propanoic acid
CID 59520233
2-[[cyclopentyl-[4-[4-(4-methylcyclohexyl)oxyphenyl]-1,3-thiazol-2-yl]amino]methyl]benzoic acid
CID 59520201
3-[[4-[4-(cyclohexylmethoxy)phenyl]-1,3-thiazol-2-yl]-hexylamino]propanoic acid
CID 143127376
sodium 3-[cyclopentyl-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]propanoate
CID 68648068
4-[[[4-[4-[(4-cyclohexylphenyl)methoxy]phenyl]-1,3-thiazol-2-yl]-methylamino]methyl]benzoic acid
CID 10239323
4-(4-phenylmethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole
CID 113229452
2-methyl-4-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 132533720
methyl 2-[4-[[4-[[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]methyl]phenyl]methoxy]phenyl]acetate
CID 68883515
3-phenyl-2-[[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]propanoic acid
CID 58629361
2-[5-[[4-[[(4-phenyl-1,3-thiazol-2-yl)-propylamino]methyl]phenyl]methoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 23111681

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl-[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]propanoic acid;hydrochloride?
The IUPAC name of 3-[cyclopentyl-[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]propanoic acid;hydrochloride (CID 68648226) is 3-[cyclopentyl-[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]propanoic acid;hydrochloride.
What is the SMILES notation for 3-[cyclopentyl-[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]propanoic acid;hydrochloride?
The canonical SMILES for 3-[cyclopentyl-[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]propanoic acid;hydrochloride is Cl.O=C(O)CCN(c1nc(-c2ccc(OCc3ccccc3)cc2)cs1)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl-[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]propanoic acid;hydrochloride?
The InChIKey is NHDLEAYXWVLTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S.ClH/c27-23(28)14-15-26(20-8-4-5-9-20)24-25-22(17-30-24)19-10-12-21(13-11-19)29-16-18-6-2-1-3-7-18;/h1-3,6-7,10-13,17,20H,4-5,8-9,14-16H2,(H,27,28);1H.
What are the key properties of 3-[cyclopentyl-[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]propanoic acid;hydrochloride?
3-[cyclopentyl-[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]propanoic acid;hydrochloride has a molecular weight of 459.01 g/mol, XLogP of 6.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl-[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]propanoic acid;hydrochloride is sourced from PubChem (CID 68648226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).