1-cyclopropyl-5-oxo-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide

C18H21N3O2S — CID 71884515

IUPAC1-cyclopropyl-5-oxo-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide
SMILESCC(C)c1nc2ccc(NC(=O)C3CC(=O)N(C4CC4)C3)cc2s1
InChIInChI=1S/C18H21N3O2S/c1-10(2)18-20-14-6-3-12(8-15(14)24-18)19-17(23)11-7-16(22)21(9-11)13-4-5-13/h3,6,8,10-11,13H,4-5,7,9H2,1-2H3,(H,19,23)
InChIKeySPDIGAIAAVMFAF-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.37
Rot. Bonds4

About 1-cyclopropyl-5-oxo-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide

1-cyclopropyl-5-oxo-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide (PubChem CID 71884515) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-cyclopropyl-5-oxo-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-5-oxo-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide
PubChem CID71884515
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name1-cyclopropyl-5-oxo-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide
SMILESCC(C)c1nc2ccc(NC(=O)C3CC(=O)N(C4CC4)C3)cc2s1
InChIInChI=1S/C18H21N3O2S/c1-10(2)18-20-14-6-3-12(8-15(14)24-18)19-17(23)11-7-16(22)21(9-11)13-4-5-13/h3,6,8,10-11,13H,4-5,7,9H2,1-2H3,(H,19,23)
InChIKeySPDIGAIAAVMFAF-UHFFFAOYSA-N
XLogP3.37
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-5-oxo-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-cyclopentyl-N-(2-methyl-1,3-benzothiazol-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 8569707
(3R)-1-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methyl-1,3-benzothiazol-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 51939886
1-cyclopentyl-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17081409
1-cyclopropyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 55374561
1-cyclobutyl-N-(3,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 110687616
(3R)-N-(3-acetylphenyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 39954335
N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119306074
(3R)-1-cyclohexyl-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide
CID 675322
N-(3-chloro-4-methylphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 17081380
2-N-methyl-1-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-1,2-dicarboxamide
CID 71921022
(3R)-1-cyclopropyl-N-(3,4-diethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 38207326
(3R)-1-cyclopropyl-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 95306606

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-oxo-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-5-oxo-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide (CID 71884515) is 1-cyclopropyl-5-oxo-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-5-oxo-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-5-oxo-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide is CC(C)c1nc2ccc(NC(=O)C3CC(=O)N(C4CC4)C3)cc2s1.
What is the InChIKey of 1-cyclopropyl-5-oxo-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide?
The InChIKey is SPDIGAIAAVMFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-10(2)18-20-14-6-3-12(8-15(14)24-18)19-17(23)11-7-16(22)21(9-11)13-4-5-13/h3,6,8,10-11,13H,4-5,7,9H2,1-2H3,(H,19,23).
What are the key properties of 1-cyclopropyl-5-oxo-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide?
1-cyclopropyl-5-oxo-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-oxo-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 71884515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).