N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(3,4-dichlorophenyl)-1,2-thiazole-5-carboxamide

C20H21Cl2N3O2S — CID 154805669

IUPACN-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(3,4-dichlorophenyl)-1,2-thiazole-5-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CCCC2)C1)c1cc(-c2ccc(Cl)c(Cl)c2)ns1
InChIInChI=1S/C20H21Cl2N3O2S/c21-15-6-5-13(9-16(15)22)17-10-18(28-24-17)19(26)23-14-7-8-25(11-14)20(27)12-3-1-2-4-12/h5-6,9-10,12,14H,1-4,7-8,11H2,(H,23,26)
InChIKeyHQTHTCXSXRAPRI-UHFFFAOYSA-N
MW438.38 g/mol
LogP4.64
Rot. Bonds4

About N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(3,4-dichlorophenyl)-1,2-thiazole-5-carboxamide

N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(3,4-dichlorophenyl)-1,2-thiazole-5-carboxamide (PubChem CID 154805669) has the molecular formula C20H21Cl2N3O2S and a molecular weight of 438.38 g/mol. Its IUPAC name is N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(3,4-dichlorophenyl)-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(3,4-dichlorophenyl)-1,2-thiazole-5-carboxamide
PubChem CID154805669
Molecular FormulaC20H21Cl2N3O2S
Molecular Weight438.38 g/mol
Exact Mass437.07
IUPAC NameN-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(3,4-dichlorophenyl)-1,2-thiazole-5-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CCCC2)C1)c1cc(-c2ccc(Cl)c(Cl)c2)ns1
InChIInChI=1S/C20H21Cl2N3O2S/c21-15-6-5-13(9-16(15)22)17-10-18(28-24-17)19(26)23-14-7-8-25(11-14)20(27)12-3-1-2-4-12/h5-6,9-10,12,14H,1-4,7-8,11H2,(H,23,26)
InChIKeyHQTHTCXSXRAPRI-UHFFFAOYSA-N
XLogP4.64
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.38
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide
CID 110866994
N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 53016414
5-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 55690906
2-amino-N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]benzamide;hydrochloride
CID 119945821
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 126795752
5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid
CID 120550990
N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 126780268
5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119163910
N-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 95051673
[3-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
CID 133367003
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide
CID 119046202
2-chloro-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]benzamide
CID 110822148

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(3,4-dichlorophenyl)-1,2-thiazole-5-carboxamide?
The IUPAC name of N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(3,4-dichlorophenyl)-1,2-thiazole-5-carboxamide (CID 154805669) is N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(3,4-dichlorophenyl)-1,2-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(3,4-dichlorophenyl)-1,2-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(3,4-dichlorophenyl)-1,2-thiazole-5-carboxamide is O=C(NC1CCN(C(=O)C2CCCC2)C1)c1cc(-c2ccc(Cl)c(Cl)c2)ns1.
What is the InChIKey of N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(3,4-dichlorophenyl)-1,2-thiazole-5-carboxamide?
The InChIKey is HQTHTCXSXRAPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O2S/c21-15-6-5-13(9-16(15)22)17-10-18(28-24-17)19(26)23-14-7-8-25(11-14)20(27)12-3-1-2-4-12/h5-6,9-10,12,14H,1-4,7-8,11H2,(H,23,26).
What are the key properties of N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(3,4-dichlorophenyl)-1,2-thiazole-5-carboxamide?
N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(3,4-dichlorophenyl)-1,2-thiazole-5-carboxamide has a molecular weight of 438.38 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(3,4-dichlorophenyl)-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 154805669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).