N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-4-cyclopropyl-1,3-thiazole-5-carboxamide

C17H18ClN3OS — CID 126791670

IUPACN-[1-(4-chlorophenyl)pyrrolidin-3-yl]-4-cyclopropyl-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CCN(c2ccc(Cl)cc2)C1)c1scnc1C1CC1
InChIInChI=1S/C17H18ClN3OS/c18-12-3-5-14(6-4-12)21-8-7-13(9-21)20-17(22)16-15(11-1-2-11)19-10-23-16/h3-6,10-11,13H,1-2,7-9H2,(H,20,22)
InChIKeyALEORLBEIANXNG-UHFFFAOYSA-N
MW347.87 g/mol
LogP3.68
Rot. Bonds4

About N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-4-cyclopropyl-1,3-thiazole-5-carboxamide

N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-4-cyclopropyl-1,3-thiazole-5-carboxamide (PubChem CID 126791670) has the molecular formula C17H18ClN3OS and a molecular weight of 347.87 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-4-cyclopropyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)pyrrolidin-3-yl]-4-cyclopropyl-1,3-thiazole-5-carboxamide
PubChem CID126791670
Molecular FormulaC17H18ClN3OS
Molecular Weight347.87 g/mol
Exact Mass347.09
IUPAC NameN-[1-(4-chlorophenyl)pyrrolidin-3-yl]-4-cyclopropyl-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CCN(c2ccc(Cl)cc2)C1)c1scnc1C1CC1
InChIInChI=1S/C17H18ClN3OS/c18-12-3-5-14(6-4-12)21-8-7-13(9-21)20-17(22)16-15(11-1-2-11)19-10-23-16/h3-6,10-11,13H,1-2,7-9H2,(H,20,22)
InChIKeyALEORLBEIANXNG-UHFFFAOYSA-N
XLogP3.68
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 126784193
4-chloro-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144583
4-cyclopropyl-N-hydroxy-1,3-thiazole-5-carboxamide
CID 130890993
tert-butyl N-[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]carbamate
CID 178166297
N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-(2,2-difluoroethyl)pyrazole-3-carboxamide
CID 139005974
4-[[1-(4-chlorophenyl)pyrrolidin-3-yl]carbamoylamino]butanoic acid
CID 122009161
4-cyclopentyl-N-(1,1-dioxothian-4-yl)-1,3-thiazole-5-carboxamide
CID 75522417
N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 138999464
N-[5-chloro-2-(propylamino)phenyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide
CID 126768993
N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-ethoxypropanamide
CID 75445488
N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49432488
N-(1-phenylpyrrolidin-3-yl)thiophene-2-carboxamide
CID 110461992

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-4-cyclopropyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-4-cyclopropyl-1,3-thiazole-5-carboxamide (CID 126791670) is N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-4-cyclopropyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-4-cyclopropyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-4-cyclopropyl-1,3-thiazole-5-carboxamide is O=C(NC1CCN(c2ccc(Cl)cc2)C1)c1scnc1C1CC1.
What is the InChIKey of N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-4-cyclopropyl-1,3-thiazole-5-carboxamide?
The InChIKey is ALEORLBEIANXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3OS/c18-12-3-5-14(6-4-12)21-8-7-13(9-21)20-17(22)16-15(11-1-2-11)19-10-23-16/h3-6,10-11,13H,1-2,7-9H2,(H,20,22).
What are the key properties of N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-4-cyclopropyl-1,3-thiazole-5-carboxamide?
N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-4-cyclopropyl-1,3-thiazole-5-carboxamide has a molecular weight of 347.87 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-4-cyclopropyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 126791670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).