2,4-dimethyl-N-phenyl-1,3-thiazolidine-3-carboxamide

C12H16N2OS — CID 134120823

IUPAC2,4-dimethyl-N-phenyl-1,3-thiazolidine-3-carboxamide
SMILESCC1CSC(C)N1C(=O)Nc1ccccc1
InChIInChI=1S/C12H16N2OS/c1-9-8-16-10(2)14(9)12(15)13-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,13,15)
InChIKeyDVHBGIZCFUUURS-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.00
Rot. Bonds1

About 2,4-dimethyl-N-phenyl-1,3-thiazolidine-3-carboxamide

2,4-dimethyl-N-phenyl-1,3-thiazolidine-3-carboxamide (PubChem CID 134120823) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 2,4-dimethyl-N-phenyl-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-phenyl-1,3-thiazolidine-3-carboxamide
PubChem CID134120823
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name2,4-dimethyl-N-phenyl-1,3-thiazolidine-3-carboxamide
SMILESCC1CSC(C)N1C(=O)Nc1ccccc1
InChIInChI=1S/C12H16N2OS/c1-9-8-16-10(2)14(9)12(15)13-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,13,15)
InChIKeyDVHBGIZCFUUURS-UHFFFAOYSA-N
XLogP3.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-ethylphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63780154
3-[(2-methoxyphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791544
3-[(2-bromophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 55237654
(2S,3R)-N,2,3-triphenylaziridine-1-carboxamide
CID 131874554
N-phenyl-3-oxa-6-azabicyclo[3.1.0]hexane-6-carboxamide
CID 121224830
3-methyl-N-phenyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 3050914
2,6-dimethyl-4-[(4-methylphenyl)methyl]-N-phenylpiperazine-1-carboxamide
CID 135269477
N-phenyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-9-carboxamide
CID 4164736
2-methyl-3-(pyrimidin-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 55236879
3,3-dimethyl-1-N,2-N-diphenyldiaziridine-1,2-dicarboxamide
CID 2831867
2-methyl-3-(1H-pyrazol-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63781609
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-phenyl-1,3-thiazolidine-3-carboxamide?
The IUPAC name of 2,4-dimethyl-N-phenyl-1,3-thiazolidine-3-carboxamide (CID 134120823) is 2,4-dimethyl-N-phenyl-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-phenyl-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-phenyl-1,3-thiazolidine-3-carboxamide is CC1CSC(C)N1C(=O)Nc1ccccc1.
What is the InChIKey of 2,4-dimethyl-N-phenyl-1,3-thiazolidine-3-carboxamide?
The InChIKey is DVHBGIZCFUUURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-9-8-16-10(2)14(9)12(15)13-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,13,15).
What are the key properties of 2,4-dimethyl-N-phenyl-1,3-thiazolidine-3-carboxamide?
2,4-dimethyl-N-phenyl-1,3-thiazolidine-3-carboxamide has a molecular weight of 236.34 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-phenyl-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 134120823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).