N-(2,5-dichlorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide

C20H17Cl2N3OS — CID 175373976

IUPACN-(2,5-dichlorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)N1CCCC1c1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H17Cl2N3OS/c21-14-8-9-15(22)16(11-14)24-20(26)25-10-4-7-18(25)19-23-17(12-27-19)13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,18H,4,7,10H2,(H,24,26)
InChIKeyCSALURREFPUIJW-UHFFFAOYSA-N
MW418.35 g/mol
LogP6.49
Rot. Bonds3

About N-(2,5-dichlorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide

N-(2,5-dichlorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 175373976) has the molecular formula C20H17Cl2N3OS and a molecular weight of 418.35 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
PubChem CID175373976
Molecular FormulaC20H17Cl2N3OS
Molecular Weight418.35 g/mol
Exact Mass417.05
IUPAC NameN-(2,5-dichlorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)N1CCCC1c1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H17Cl2N3OS/c21-14-8-9-15(22)16(11-14)24-20(26)25-10-4-7-18(25)19-23-17(12-27-19)13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,18H,4,7,10H2,(H,24,26)
InChIKeyCSALURREFPUIJW-UHFFFAOYSA-N
XLogP6.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.35
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-tert-butylphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 154636961
2-(4-phenyl-1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 175374032
2-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid
CID 67479701
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 95116605
tert-butyl 2-(4-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxylate
CID 67357840
(2S)-N-(3-chlorophenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 154636964
1-[(5-chloro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 90459957
N-(5-chloro-2-methylphenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53206190
(2R)-N-(2,5-dichlorophenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 97075950
(2S)-1-N-(2,5-dichlorophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 99818478
2-[4-(2-oxo-1H-pyridin-4-yl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxylic acid
CID 91489837
N-(3-chlorophenyl)-5-[(2R)-1-[(2-chlorophenyl)carbamoyl]pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 95070855

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide (CID 175373976) is N-(2,5-dichlorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide is O=C(Nc1cc(Cl)ccc1Cl)N1CCCC1c1nc(-c2ccccc2)cs1.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is CSALURREFPUIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3OS/c21-14-8-9-15(22)16(11-14)24-20(26)25-10-4-7-18(25)19-23-17(12-27-19)13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,18H,4,7,10H2,(H,24,26).
What are the key properties of N-(2,5-dichlorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
N-(2,5-dichlorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 418.35 g/mol, XLogP of 6.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 175373976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).