N-(5-cyano-1,3-thiazol-2-yl)-2-(3,5-dimethylphenyl)pyrrolidine-1-carboxamide

Name: N-(5-cyano-1,3-thiazol-2-yl)-2-(3,5-dimethylphenyl)pyrrolidine-1-carboxamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₁₈N₄OS — CID 166280871

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACN-(5-cyano-1,3-thiazol-2-yl)-2-(3,5-dimethylphenyl)pyrrolidine-1-carboxamide

SMILESCc1cc(C)cc(C2CCCN2C(=O)Nc2ncc(C#N)s2)c1

InChIInChI=1S/C17H18N4OS/c1-11-6-12(2)8-13(7-11)15-4-3-5-21(15)17(22)20-16-19-10-14(9-18)23-16/h6-8,10,15H,3-5H2,1-2H3,(H,19,20,22)

InChIKeyDNTXWCKZDMZBAB-UHFFFAOYSA-N

MW326.43 g/mol

LogP4.00

Rot. Bonds2

About N-(5-cyano-1,3-thiazol-2-yl)-2-(3,5-dimethylphenyl)pyrrolidine-1-carboxamide

N-(5-cyano-1,3-thiazol-2-yl)-2-(3,5-dimethylphenyl)pyrrolidine-1-carboxamide (PubChem CID 166280871) has the molecular formula C₁₇H₁₈N₄OS and a molecular weight of 326.43 g/mol. Its IUPAC name is N-(5-cyano-1,3-thiazol-2-yl)-2-(3,5-dimethylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name	N-(5-cyano-1,3-thiazol-2-yl)-2-(3,5-dimethylphenyl)pyrrolidine-1-carboxamide
PubChem CID	166280871
Molecular Formula	C₁₇H₁₈N₄OS
Molecular Weight	326.43 g/mol
Exact Mass	326.12
IUPAC Name	N-(5-cyano-1,3-thiazol-2-yl)-2-(3,5-dimethylphenyl)pyrrolidine-1-carboxamide
SMILES	Cc1cc(C)cc(C2CCCN2C(=O)Nc2ncc(C#N)s2)c1
InChI	InChI=1S/C17H18N4OS/c1-11-6-12(2)8-13(7-11)15-4-3-5-21(15)17(22)20-16-19-10-14(9-18)23-16/h6-8,10,15H,3-5H2,1-2H3,(H,19,20,22)
InChIKey	DNTXWCKZDMZBAB-UHFFFAOYSA-N
XLogP	4.00
TPSA	69.02 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	2
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	326.43
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)-2-(3,5-dimethylphenyl)pyrrolidine-1-carboxamide?

The IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)-2-(3,5-dimethylphenyl)pyrrolidine-1-carboxamide (CID 166280871) is N-(5-cyano-1,3-thiazol-2-yl)-2-(3,5-dimethylphenyl)pyrrolidine-1-carboxamide.

What is the SMILES notation for N-(5-cyano-1,3-thiazol-2-yl)-2-(3,5-dimethylphenyl)pyrrolidine-1-carboxamide?

The canonical SMILES for N-(5-cyano-1,3-thiazol-2-yl)-2-(3,5-dimethylphenyl)pyrrolidine-1-carboxamide is Cc1cc(C)cc(C2CCCN2C(=O)Nc2ncc(C#N)s2)c1.

What is the InChIKey of N-(5-cyano-1,3-thiazol-2-yl)-2-(3,5-dimethylphenyl)pyrrolidine-1-carboxamide?

The InChIKey is DNTXWCKZDMZBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-11-6-12(2)8-13(7-11)15-4-3-5-21(15)17(22)20-16-19-10-14(9-18)23-16/h6-8,10,15H,3-5H2,1-2H3,(H,19,20,22).

What are the key properties of N-(5-cyano-1,3-thiazol-2-yl)-2-(3,5-dimethylphenyl)pyrrolidine-1-carboxamide?

N-(5-cyano-1,3-thiazol-2-yl)-2-(3,5-dimethylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 326.43 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-cyano-1,3-thiazol-2-yl)-2-(3,5-dimethylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 166280871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 166280871 — identifiers, structure, computed properties (public domain)

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