N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide

C14H19N3O2S — CID 60944866

IUPACN-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)C2CSCN2)cc1
InChIInChI=1S/C14H19N3O2S/c1-15-13(18)11-5-3-10(4-6-11)7-17(2)14(19)12-8-20-9-16-12/h3-6,12,16H,7-9H2,1-2H3,(H,15,18)
InChIKeyVGEGHTGRJWKQPK-UHFFFAOYSA-N
MW293.39 g/mol
LogP0.67
Rot. Bonds4

About N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide

N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 60944866) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID60944866
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)C2CSCN2)cc1
InChIInChI=1S/C14H19N3O2S/c1-15-13(18)11-5-3-10(4-6-11)7-17(2)14(19)12-8-20-9-16-12/h3-6,12,16H,7-9H2,1-2H3,(H,15,18)
InChIKeyVGEGHTGRJWKQPK-UHFFFAOYSA-N
XLogP0.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 60938155
N-[(4-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 54869067
(2R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119694200
(2R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 8966947
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119273755
N-methyl-4-[[methyl-[(1R,2R)-2-methylcyclopropanecarbonyl]amino]methyl]benzamide
CID 8964688
(2S,4S)-N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 120618816
2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60948397
N-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 43579156
(4S)-N-[(2-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 93367241
(3R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
CID 81128292
4-[[[2-(4-fluorophenyl)cyclopropanecarbonyl]-methylamino]methyl]-N-methylbenzamide
CID 51292326

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide (CID 60944866) is N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide is CNC(=O)c1ccc(CN(C)C(=O)C2CSCN2)cc1.
What is the InChIKey of N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is VGEGHTGRJWKQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-15-13(18)11-5-3-10(4-6-11)7-17(2)14(19)12-8-20-9-16-12/h3-6,12,16H,7-9H2,1-2H3,(H,15,18).
What are the key properties of N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide?
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 60944866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).