(2S)-N-(2-chloro-3-pyridinyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide

C19H17ClN4OS — CID 154636969

IUPAC(2S)-N-(2-chloro-3-pyridinyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccnc1Cl)N1CCC[C@H]1c1ncc(-c2ccccc2)s1
InChIInChI=1S/C19H17ClN4OS/c20-17-14(8-4-10-21-17)23-19(25)24-11-5-9-15(24)18-22-12-16(26-18)13-6-2-1-3-7-13/h1-4,6-8,10,12,15H,5,9,11H2,(H,23,25)/t15-/m0/s1
InChIKeyGNZIIJVYFNAKIL-HNNXBMFYSA-N
MW384.89 g/mol
LogP5.23
Rot. Bonds3

About (2S)-N-(2-chloro-3-pyridinyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide

(2S)-N-(2-chloro-3-pyridinyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 154636969) has the molecular formula C19H17ClN4OS and a molecular weight of 384.89 g/mol. Its IUPAC name is (2S)-N-(2-chloro-3-pyridinyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-chloro-3-pyridinyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
PubChem CID154636969
Molecular FormulaC19H17ClN4OS
Molecular Weight384.89 g/mol
Exact Mass384.08
IUPAC Name(2S)-N-(2-chloro-3-pyridinyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccnc1Cl)N1CCC[C@H]1c1ncc(-c2ccccc2)s1
InChIInChI=1S/C19H17ClN4OS/c20-17-14(8-4-10-21-17)23-19(25)24-11-5-9-15(24)18-22-12-16(26-18)13-6-2-1-3-7-13/h1-4,6-8,10,12,15H,5,9,11H2,(H,23,25)/t15-/m0/s1
InChIKeyGNZIIJVYFNAKIL-HNNXBMFYSA-N
XLogP5.23
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.89
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(4-(2-(Aminomethyl)thiazol-5-yl)cyclohex-3-enyl)-3-(3-chloro-4-fluorophenyl)-1-(2-(pyrrolidin-1-yl)ethyl)urea
CID 11634329
3-(3-Chloro-4-fluorophenyl)-1-(4-(2-((dimethylamino)methyl)thiazol-5-yl)cyclohex-3-enyl)-1-(2-(pyrrolidin-1-yl)ethyl)urea
CID 11670645
1-(4-(5-(Aminomethyl)thiazol-2-yl)cyclohex-3-enyl)-3-(3-chloro-4-fluorophenyl)-1-(2-(pyrrolidin-1-yl)ethyl)urea
CID 11691468
[2-[5-Chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone
CID 118204300
1-(4-Chlorophenyl)-3-(5-pyridin-4-ylthiophen-2-yl)urea
CID 155436509
1-(4-Chlorophenyl)-3-(5-pyridin-3-ylthiophen-2-yl)urea
CID 155436767
2-[(2Z)-2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-(2-chloropyridin-3-yl)acetamide
CID 2120748
1-(2-Chlorophenyl)-3-{1-[4,5-dimethyl-2-(1H-pyrrol-1-YL)thiophen-3-YL]ethyl}urea
CID 16011353
3-(3-Chloro-4-fluorophenyl)-1-(4-(2-cyanothiazol-5-yl)cyclohex-3-enyl)-1-(2-(pyrrolidin-1-yl)ethyl)urea
CID 44424270
N-[(1R)-1-[5-chloro-6-(pyridin-3-ylamino)-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide
CID 122184229
N-[(1R)-1-[5-chloro-6-[(2-methyl-1,3-thiazol-5-yl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide
CID 122184231
(3R,5S)-3,5-dimethyl-N-pyridin-3-yl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
CID 134153241

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-chloro-3-pyridinyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(2-chloro-3-pyridinyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide (CID 154636969) is (2S)-N-(2-chloro-3-pyridinyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(2-chloro-3-pyridinyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(2-chloro-3-pyridinyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide is O=C(Nc1cccnc1Cl)N1CCC[C@H]1c1ncc(-c2ccccc2)s1.
What is the InChIKey of (2S)-N-(2-chloro-3-pyridinyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is GNZIIJVYFNAKIL-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H17ClN4OS/c20-17-14(8-4-10-21-17)23-19(25)24-11-5-9-15(24)18-22-12-16(26-18)13-6-2-1-3-7-13/h1-4,6-8,10,12,15H,5,9,11H2,(H,23,25)/t15-/m0/s1.
What are the key properties of (2S)-N-(2-chloro-3-pyridinyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
(2S)-N-(2-chloro-3-pyridinyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 384.89 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-chloro-3-pyridinyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 154636969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).