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

C17H18N4OS — CID 166280871

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 NameN-(5-cyano-1,3-thiazol-2-yl)-2-(3,5-dimethylphenyl)pyrrolidine-1-carboxamide
PubChem CID166280871
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC NameN-(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
XLogP4.00
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 50747165
N-(5-cyano-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 90603537
1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]propan-1-one
CID 176931580
6-[(5-cyano-1,3-thiazol-2-yl)amino]-2-[2-(4-methylphenyl)pyrrolidin-1-yl]pyrimidine-4-carboxylic acid
CID 72550517
(2R)-1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55150045
(2S)-2-(3-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856238
N-(5-cyano-1,3-thiazol-2-yl)-3-methylbenzamide
CID 90603545
4-[2-(3,5-dimethylphenyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 86951405
N-(3,5-dimethylphenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 53096340
3-[2-(3,5-dimethylphenyl)pyrrolidine-1-carbonyl]benzonitrile
CID 86951387
(2R)-2-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 94080902
N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 90603668

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).