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

C12H15N3O2S — CID 61258442

IUPACN-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)C2CSCN2)c1
InChIInChI=1S/C12H15N3O2S/c1-13-11(16)8-3-2-4-9(5-8)15-12(17)10-6-18-7-14-10/h2-5,10,14H,6-7H2,1H3,(H,13,16)(H,15,17)
InChIKeyHZFZJIVLROYRBT-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.65
Rot. Bonds3

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

N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 61258442) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
PubChem CID61258442
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)C2CSCN2)c1
InChIInChI=1S/C12H15N3O2S/c1-13-11(16)8-3-2-4-9(5-8)15-12(17)10-6-18-7-14-10/h2-5,10,14H,6-7H2,1H3,(H,13,16)(H,15,17)
InChIKeyHZFZJIVLROYRBT-UHFFFAOYSA-N
XLogP0.65
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24689839
N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 60711040
N-(3-ethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24703459
N-[3-(propanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 61250253
N-[4-chloro-3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119297598
N-(3-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
CID 54862152
N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119281758
N-[3-(ethylcarbamoylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119307462
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119262127
N-(3-pyrrol-1-ylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43713195
N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119853195

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide (CID 61258442) is N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide is CNC(=O)c1cccc(NC(=O)C2CSCN2)c1.
What is the InChIKey of N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is HZFZJIVLROYRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-13-11(16)8-3-2-4-9(5-8)15-12(17)10-6-18-7-14-10/h2-5,10,14H,6-7H2,1H3,(H,13,16)(H,15,17).
What are the key properties of N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide?
N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 61258442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).