N-(3,4-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxamide

C17H19N3OS — CID 4568758

IUPACN-(3,4-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxamide
SMILESCc1ccc(NC(=O)N2CCSC2c2cccnc2)cc1C
InChIInChI=1S/C17H19N3OS/c1-12-5-6-15(10-13(12)2)19-17(21)20-8-9-22-16(20)14-4-3-7-18-11-14/h3-7,10-11,16H,8-9H2,1-2H3,(H,19,21)
InChIKeyCYGRDECSKPXBKW-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.98
Rot. Bonds2

About N-(3,4-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxamide

N-(3,4-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxamide (PubChem CID 4568758) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxamide
PubChem CID4568758
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC NameN-(3,4-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxamide
SMILESCc1ccc(NC(=O)N2CCSC2c2cccnc2)cc1C
InChIInChI=1S/C17H19N3OS/c1-12-5-6-15(10-13(12)2)19-17(21)20-8-9-22-16(20)14-4-3-7-18-11-14/h3-7,10-11,16H,8-9H2,1-2H3,(H,19,21)
InChIKeyCYGRDECSKPXBKW-UHFFFAOYSA-N
XLogP3.98
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025660
2-(2,4-dichlorophenyl)-N-(3,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 3462606
(2S)-2-(4-tert-butylphenyl)-N-(3-chloro-4-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025225
(2S)-N-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 7419036
(2R)-2-(3-phenoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 1025278
(2S)-2-(3-chlorophenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 7409403
(2R)-2-(5-methylthiophen-2-yl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 7356533
(2-chlorophenyl)-[(2R)-2-pyridin-3-yl-1,3-thiazolidin-3-yl]methanone
CID 815814
N-(3-fluorophenyl)-2-(4-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122330402
N-(3,4-dimethylphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide
CID 75975474
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-thiazolidine-3-carboxamide
CID 122329146
2-(3-methoxyphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 86264803

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxamide (CID 4568758) is N-(3,4-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxamide is Cc1ccc(NC(=O)N2CCSC2c2cccnc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxamide?
The InChIKey is CYGRDECSKPXBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-12-5-6-15(10-13(12)2)19-17(21)20-8-9-22-16(20)14-4-3-7-18-11-14/h3-7,10-11,16H,8-9H2,1-2H3,(H,19,21).
What are the key properties of N-(3,4-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxamide?
N-(3,4-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxamide has a molecular weight of 313.43 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 4568758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).