(2S)-N-(3-tert-butyl-1,2-thiazol-5-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide

C18H20ClN3O2S — CID 67953375

IUPAC(2S)-N-(3-tert-butyl-1,2-thiazol-5-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(Cl)cc2)sn1
InChIInChI=1S/C18H20ClN3O2S/c1-18(2,3)14-10-15(25-21-14)20-17(24)13-8-9-16(23)22(13)12-6-4-11(19)5-7-12/h4-7,10,13H,8-9H2,1-3H3,(H,20,24)/t13-/m0/s1
InChIKeyLMAGCLOQUCDKTQ-ZDUSSCGKSA-N
MW377.90 g/mol
LogP4.23
Rot. Bonds3

About (2S)-N-(3-tert-butyl-1,2-thiazol-5-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide

(2S)-N-(3-tert-butyl-1,2-thiazol-5-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 67953375) has the molecular formula C18H20ClN3O2S and a molecular weight of 377.90 g/mol. Its IUPAC name is (2S)-N-(3-tert-butyl-1,2-thiazol-5-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-tert-butyl-1,2-thiazol-5-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID67953375
Molecular FormulaC18H20ClN3O2S
Molecular Weight377.90 g/mol
Exact Mass377.10
IUPAC Name(2S)-N-(3-tert-butyl-1,2-thiazol-5-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(Cl)cc2)sn1
InChIInChI=1S/C18H20ClN3O2S/c1-18(2,3)14-10-15(25-21-14)20-17(24)13-8-9-16(23)22(13)12-6-4-11(19)5-7-12/h4-7,10,13H,8-9H2,1-3H3,(H,20,24)/t13-/m0/s1
InChIKeyLMAGCLOQUCDKTQ-ZDUSSCGKSA-N
XLogP4.23
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.90
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-tert-butyl-1,2-thiazol-5-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-tert-butyl-1,2-thiazol-5-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide (CID 67953375) is (2S)-N-(3-tert-butyl-1,2-thiazol-5-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-tert-butyl-1,2-thiazol-5-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-tert-butyl-1,2-thiazol-5-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide is CC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(Cl)cc2)sn1.
What is the InChIKey of (2S)-N-(3-tert-butyl-1,2-thiazol-5-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is LMAGCLOQUCDKTQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20ClN3O2S/c1-18(2,3)14-10-15(25-21-14)20-17(24)13-8-9-16(23)22(13)12-6-4-11(19)5-7-12/h4-7,10,13H,8-9H2,1-3H3,(H,20,24)/t13-/m0/s1.
What are the key properties of (2S)-N-(3-tert-butyl-1,2-thiazol-5-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide?
(2S)-N-(3-tert-butyl-1,2-thiazol-5-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 377.90 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-tert-butyl-1,2-thiazol-5-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 67953375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).