N-[(4-chlorophenyl)methyl]-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide

C16H18ClN3O3S — CID 171352067

IUPACN-[(4-chlorophenyl)methyl]-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C1CC[C@H](C(=O)N2CSCC2C(=O)NCc2ccc(Cl)cc2)N1
InChIInChI=1S/C16H18ClN3O3S/c17-11-3-1-10(2-4-11)7-18-15(22)13-8-24-9-20(13)16(23)12-5-6-14(21)19-12/h1-4,12-13H,5-9H2,(H,18,22)(H,19,21)/t12-,13?/m1/s1
InChIKeyOPAWKRDPDFMHHA-PZORYLMUSA-N
MW367.86 g/mol
LogP1.14
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide

N-[(4-chlorophenyl)methyl]-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 171352067) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide
PubChem CID171352067
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC NameN-[(4-chlorophenyl)methyl]-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C1CC[C@H](C(=O)N2CSCC2C(=O)NCc2ccc(Cl)cc2)N1
InChIInChI=1S/C16H18ClN3O3S/c17-11-3-1-10(2-4-11)7-18-15(22)13-8-24-9-20(13)16(23)12-5-6-14(21)19-12/h1-4,12-13H,5-9H2,(H,18,22)(H,19,21)/t12-,13?/m1/s1
InChIKeyOPAWKRDPDFMHHA-PZORYLMUSA-N
XLogP1.14
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide (CID 171352067) is N-[(4-chlorophenyl)methyl]-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide is O=C1CC[C@H](C(=O)N2CSCC2C(=O)NCc2ccc(Cl)cc2)N1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is OPAWKRDPDFMHHA-PZORYLMUSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c17-11-3-1-10(2-4-11)7-18-15(22)13-8-24-9-20(13)16(23)12-5-6-14(21)19-12/h1-4,12-13H,5-9H2,(H,18,22)(H,19,21)/t12-,13?/m1/s1.
What are the key properties of N-[(4-chlorophenyl)methyl]-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 367.86 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 171352067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).