(4-chlorophenyl)-[(2S)-1-(4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone

C20H15Cl2N3O2S — CID 90086256

IUPAC(4-chlorophenyl)-[(2S)-1-(4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)[C@@H]1CCCN1C(=O)c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C20H15Cl2N3O2S/c21-14-7-5-12(6-8-14)16(26)15-4-2-10-25(15)20(27)17-18(22)24-19(28-17)13-3-1-9-23-11-13/h1,3,5-9,11,15H,2,4,10H2/t15-/m0/s1
InChIKeyDJIVSTMNTVNRMV-HNNXBMFYSA-N
MW432.33 g/mol
LogP5.00
Rot. Bonds4

About (4-chlorophenyl)-[(2S)-1-(4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone

(4-chlorophenyl)-[(2S)-1-(4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone (PubChem CID 90086256) has the molecular formula C20H15Cl2N3O2S and a molecular weight of 432.33 g/mol. Its IUPAC name is (4-chlorophenyl)-[(2S)-1-(4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[(2S)-1-(4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone
PubChem CID90086256
Molecular FormulaC20H15Cl2N3O2S
Molecular Weight432.33 g/mol
Exact Mass431.03
IUPAC Name(4-chlorophenyl)-[(2S)-1-(4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)[C@@H]1CCCN1C(=O)c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C20H15Cl2N3O2S/c21-14-7-5-12(6-8-14)16(26)15-4-2-10-25(15)20(27)17-18(22)24-19(28-17)13-3-1-9-23-11-13/h1,3,5-9,11,15H,2,4,10H2/t15-/m0/s1
InChIKeyDJIVSTMNTVNRMV-HNNXBMFYSA-N
XLogP5.00
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.33
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-chlorophenyl)-[(2S)-1-(4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone 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

4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride
CID 86713748
1-[(4aS,8aS)-8a-methyl-5-(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)-3,4,4a,6,7,8-hexahydro-2H-1,5-naphthyridin-1-yl]ethanone
CID 110141548
4-chloro-N-[1-(4-chlorophenyl)propan-2-yl]-N-cyclopropyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 71111600
4-chloro-N-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 71114305
1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(2-piperidin-1-ylphenyl)propan-1-one
CID 149029882
N-[(3-chlorophenyl)methyl]-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide
CID 134803976
N-butan-2-yl-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 71111592
4-chloro-N-[4-(4-chlorophenyl)thiadiazol-5-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 71114674
3,4-dihydro-1H-isoquinolin-2-yl-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone
CID 30134172
N-[1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine
CID 131732978
methyl (2S)-1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]pyrrolidine-2-carboxylate
CID 156866200
4-chloro-N,N-dimethyl-2-pyridin-3-yl-1,3-thiazole-5-carbothioamide
CID 89394604

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[(2S)-1-(4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[(2S)-1-(4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone (CID 90086256) is (4-chlorophenyl)-[(2S)-1-(4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[(2S)-1-(4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[(2S)-1-(4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone is O=C(c1ccc(Cl)cc1)[C@@H]1CCCN1C(=O)c1sc(-c2cccnc2)nc1Cl.
What is the InChIKey of (4-chlorophenyl)-[(2S)-1-(4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone?
The InChIKey is DJIVSTMNTVNRMV-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O2S/c21-14-7-5-12(6-8-14)16(26)15-4-2-10-25(15)20(27)17-18(22)24-19(28-17)13-3-1-9-23-11-13/h1,3,5-9,11,15H,2,4,10H2/t15-/m0/s1.
What are the key properties of (4-chlorophenyl)-[(2S)-1-(4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone?
(4-chlorophenyl)-[(2S)-1-(4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone has a molecular weight of 432.33 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[(2S)-1-(4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone is sourced from PubChem (CID 90086256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).