ethyl 2-[(2S)-1-(2-cyclopentylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate

C19H24N4O2S — CID 99795201

IUPACethyl 2-[(2S)-1-(2-cyclopentylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc([C@@H]2CCCN2c2ccnc(C3CCCC3)n2)n1
InChIInChI=1S/C19H24N4O2S/c1-2-25-19(24)14-12-26-18(21-14)15-8-5-11-23(15)16-9-10-20-17(22-16)13-6-3-4-7-13/h9-10,12-13,15H,2-8,11H2,1H3/t15-/m0/s1
InChIKeyWOYDXLLJAJCQKP-HNNXBMFYSA-N
MW372.49 g/mol
LogP4.11
Rot. Bonds5

About ethyl 2-[(2S)-1-(2-cyclopentylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate

ethyl 2-[(2S)-1-(2-cyclopentylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate (PubChem CID 99795201) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is ethyl 2-[(2S)-1-(2-cyclopentylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2S)-1-(2-cyclopentylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
PubChem CID99795201
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Nameethyl 2-[(2S)-1-(2-cyclopentylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc([C@@H]2CCCN2c2ccnc(C3CCCC3)n2)n1
InChIInChI=1S/C19H24N4O2S/c1-2-25-19(24)14-12-26-18(21-14)15-8-5-11-23(15)16-9-10-20-17(22-16)13-6-3-4-7-13/h9-10,12-13,15H,2-8,11H2,1H3/t15-/m0/s1
InChIKeyWOYDXLLJAJCQKP-HNNXBMFYSA-N
XLogP4.11
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[(2S)-1-(2-cyclopentylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2S)-1-(2-cyclopentylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(2S)-1-(2-cyclopentylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate (CID 99795201) is ethyl 2-[(2S)-1-(2-cyclopentylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(2S)-1-(2-cyclopentylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(2S)-1-(2-cyclopentylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc([C@@H]2CCCN2c2ccnc(C3CCCC3)n2)n1.
What is the InChIKey of ethyl 2-[(2S)-1-(2-cyclopentylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate?
The InChIKey is WOYDXLLJAJCQKP-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-2-25-19(24)14-12-26-18(21-14)15-8-5-11-23(15)16-9-10-20-17(22-16)13-6-3-4-7-13/h9-10,12-13,15H,2-8,11H2,1H3/t15-/m0/s1.
What are the key properties of ethyl 2-[(2S)-1-(2-cyclopentylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate?
ethyl 2-[(2S)-1-(2-cyclopentylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 372.49 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2S)-1-(2-cyclopentylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 99795201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).