N-(4-cyanophenyl)-2-(1-methylpyrrol-2-yl)-1,3-thiazolidine-3-carboxamide

C16H16N4OS — CID 4575110

IUPACN-(4-cyanophenyl)-2-(1-methylpyrrol-2-yl)-1,3-thiazolidine-3-carboxamide
SMILESCn1cccc1C1SCCN1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H16N4OS/c1-19-8-2-3-14(19)15-20(9-10-22-15)16(21)18-13-6-4-12(11-17)5-7-13/h2-8,15H,9-10H2,1H3,(H,18,21)
InChIKeyWRDIJGILUKAZJG-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.18
Rot. Bonds2

About N-(4-cyanophenyl)-2-(1-methylpyrrol-2-yl)-1,3-thiazolidine-3-carboxamide

N-(4-cyanophenyl)-2-(1-methylpyrrol-2-yl)-1,3-thiazolidine-3-carboxamide (PubChem CID 4575110) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(1-methylpyrrol-2-yl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(1-methylpyrrol-2-yl)-1,3-thiazolidine-3-carboxamide
PubChem CID4575110
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC NameN-(4-cyanophenyl)-2-(1-methylpyrrol-2-yl)-1,3-thiazolidine-3-carboxamide
SMILESCn1cccc1C1SCCN1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H16N4OS/c1-19-8-2-3-14(19)15-20(9-10-22-15)16(21)18-13-6-4-12(11-17)5-7-13/h2-8,15H,9-10H2,1H3,(H,18,21)
InChIKeyWRDIJGILUKAZJG-UHFFFAOYSA-N
XLogP3.18
TPSA61.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-cyanophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025382
N-(2,3-dichlorophenyl)-2-(1-methylpyrrol-2-yl)-1,3-thiazolidine-3-carboxamide
CID 42781193
(2S)-N-(4-cyanophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-3-carboxamide
CID 1025146
(2S)-N-(4-cyanophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide
CID 11924002
(2R)-2-(5-methylthiophen-2-yl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 7356533
3-[(4-cyanophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 24690033
1-[(4-cyanophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107070005
[2-(1-methylpyrrol-2-yl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone
CID 3446763
(2R)-2-[4-(dimethylamino)phenyl]-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 35527030
(2R)-N-(4-cyanophenyl)-2-methylpiperazine-1-carboxamide
CID 82755656
(2R)-2-(3,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 816356
N-(4-cyanophenyl)pyrrole-1-carboxamide
CID 57233702

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(1-methylpyrrol-2-yl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-2-(1-methylpyrrol-2-yl)-1,3-thiazolidine-3-carboxamide (CID 4575110) is N-(4-cyanophenyl)-2-(1-methylpyrrol-2-yl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(1-methylpyrrol-2-yl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(1-methylpyrrol-2-yl)-1,3-thiazolidine-3-carboxamide is Cn1cccc1C1SCCN1C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-(1-methylpyrrol-2-yl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is WRDIJGILUKAZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-19-8-2-3-14(19)15-20(9-10-22-15)16(21)18-13-6-4-12(11-17)5-7-13/h2-8,15H,9-10H2,1H3,(H,18,21).
What are the key properties of N-(4-cyanophenyl)-2-(1-methylpyrrol-2-yl)-1,3-thiazolidine-3-carboxamide?
N-(4-cyanophenyl)-2-(1-methylpyrrol-2-yl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(1-methylpyrrol-2-yl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 4575110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).