2-(2-phenylpropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid

C16H18N2O2S — CID 104592490

IUPAC2-(2-phenylpropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
SMILESCC(CNc1nc2c(s1)CCC2C(=O)O)c1ccccc1
InChIInChI=1S/C16H18N2O2S/c1-10(11-5-3-2-4-6-11)9-17-16-18-14-12(15(19)20)7-8-13(14)21-16/h2-6,10,12H,7-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyHQDSFTITQNKTEF-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.47
Rot. Bonds5

About 2-(2-phenylpropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid

2-(2-phenylpropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid (PubChem CID 104592490) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-(2-phenylpropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-phenylpropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
PubChem CID104592490
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-(2-phenylpropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
SMILESCC(CNc1nc2c(s1)CCC2C(=O)O)c1ccccc1
InChIInChI=1S/C16H18N2O2S/c1-10(11-5-3-2-4-6-11)9-17-16-18-14-12(15(19)20)7-8-13(14)21-16/h2-6,10,12H,7-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyHQDSFTITQNKTEF-UHFFFAOYSA-N
XLogP3.47
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-phenylpropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid 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

(4R)-2-benzamido-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 42281824
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 113395741
2-(2,2,3,3-tetrafluoropropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 106296034
2-[(1-ethoxy-1-oxopropan-2-yl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 113395742
2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 113395760
2-[(5-amino-5-oxopentyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 114162848
2-[2-(dimethylsulfamoyl)ethylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 106343051
2-benzamido-N-(4-phenylbutan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947071
2-[(2-methylthiolan-2-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 113395819
2-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 113395559
2-benzamido-N-ethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947039
methyl 2-[2-(2-phenylpropylamino)-1,3-thiazol-4-yl]acetate
CID 104592481

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylpropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid?
The IUPAC name of 2-(2-phenylpropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid (CID 104592490) is 2-(2-phenylpropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-phenylpropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2-phenylpropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid is CC(CNc1nc2c(s1)CCC2C(=O)O)c1ccccc1.
What is the InChIKey of 2-(2-phenylpropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid?
The InChIKey is HQDSFTITQNKTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-10(11-5-3-2-4-6-11)9-17-16-18-14-12(15(19)20)7-8-13(14)21-16/h2-6,10,12H,7-9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-(2-phenylpropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid?
2-(2-phenylpropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid has a molecular weight of 302.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylpropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid is sourced from PubChem (CID 104592490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).