1-(2-chlorophenyl)-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide

C18H18ClN3O2S — CID 112760934

IUPAC1-(2-chlorophenyl)-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)C1CC(=O)N(c2ccccc2Cl)C1
InChIInChI=1S/C18H18ClN3O2S/c19-12-5-1-3-7-14(12)22-10-11(9-16(22)23)17(24)21-18-20-13-6-2-4-8-15(13)25-18/h1,3,5,7,11H,2,4,6,8-10H2,(H,20,21,24)
InChIKeyFJRCLFWAOVNYIZ-UHFFFAOYSA-N
MW375.88 g/mol
LogP3.67
Rot. Bonds3

About 1-(2-chlorophenyl)-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide

1-(2-chlorophenyl)-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 112760934) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID112760934
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC Name1-(2-chlorophenyl)-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)C1CC(=O)N(c2ccccc2Cl)C1
InChIInChI=1S/C18H18ClN3O2S/c19-12-5-1-3-7-14(12)22-10-11(9-16(22)23)17(24)21-18-20-13-6-2-4-8-15(13)25-18/h1,3,5,7,11H,2,4,6,8-10H2,(H,20,21,24)
InChIKeyFJRCLFWAOVNYIZ-UHFFFAOYSA-N
XLogP3.67
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide
CID 42891468
(3R)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 33039214
1-(3,5-dimethylphenyl)-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide
CID 17120918
(3R)-1-(4-ethoxyphenyl)-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide
CID 7264060
1-(1,3-benzodioxol-5-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 46589752
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46565001
(3S)-1-(2-chlorophenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 8832147
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 90543641
(3R)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 51590916
(3S)-1-(2-chlorophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569550
1-(4-chlorophenyl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 90543646
N-(4-acetamidophenyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2951564

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide (CID 112760934) is 1-(2-chlorophenyl)-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide is O=C(Nc1nc2c(s1)CCCC2)C1CC(=O)N(c2ccccc2Cl)C1.
What is the InChIKey of 1-(2-chlorophenyl)-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is FJRCLFWAOVNYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c19-12-5-1-3-7-14(12)22-10-11(9-16(22)23)17(24)21-18-20-13-6-2-4-8-15(13)25-18/h1,3,5,7,11H,2,4,6,8-10H2,(H,20,21,24).
What are the key properties of 1-(2-chlorophenyl)-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide?
1-(2-chlorophenyl)-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 375.88 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 112760934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).