(2R)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide

C15H15N5O4S3 — CID 94658657

IUPAC(2R)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESCc1nc(-c2nnc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)o2)cs1
InChIInChI=1S/C15H15N5O4S3/c1-9-16-10(8-26-9)14-18-19-15(24-14)17-13(21)11-4-2-6-20(11)27(22,23)12-5-3-7-25-12/h3,5,7-8,11H,2,4,6H2,1H3,(H,17,19,21)/t11-/m1/s1
InChIKeyXBKBOMTWOYHPRM-LLVKDONJSA-N
MW425.52 g/mol
LogP2.35
Rot. Bonds5

About (2R)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide

(2R)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 94658657) has the molecular formula C15H15N5O4S3 and a molecular weight of 425.52 g/mol. Its IUPAC name is (2R)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID94658657
Molecular FormulaC15H15N5O4S3
Molecular Weight425.52 g/mol
Exact Mass425.03
IUPAC Name(2R)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESCc1nc(-c2nnc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)o2)cs1
InChIInChI=1S/C15H15N5O4S3/c1-9-16-10(8-26-9)14-18-19-15(24-14)17-13(21)11-4-2-6-20(11)27(22,23)12-5-3-7-25-12/h3,5,7-8,11H,2,4,6H2,1H3,(H,17,19,21)/t11-/m1/s1
InChIKeyXBKBOMTWOYHPRM-LLVKDONJSA-N
XLogP2.35
TPSA118.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.52
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (2R)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-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

N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 44921822
N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
CID 90602745
(2R)-N-(2-methyl-1,3-benzoxazol-6-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 99702000
1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
CID 16854813
N-(6-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826437
N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16828812
N-(3,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341686
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 16830697
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 43976795
(2R)-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 42110611
(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
CID 42477494
(2R)-N-pyridin-2-yl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799494

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide (CID 94658657) is (2R)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide is Cc1nc(-c2nnc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)o2)cs1.
What is the InChIKey of (2R)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is XBKBOMTWOYHPRM-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15N5O4S3/c1-9-16-10(8-26-9)14-18-19-15(24-14)17-13(21)11-4-2-6-20(11)27(22,23)12-5-3-7-25-12/h3,5,7-8,11H,2,4,6H2,1H3,(H,17,19,21)/t11-/m1/s1.
What are the key properties of (2R)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
(2R)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 425.52 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 94658657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).