N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride

C14H20ClN3O2S — CID 119281758

IUPACN-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCC(C)C(=O)Nc1cccc(NC(=O)C2CSCN2)c1.Cl
InChIInChI=1S/C14H19N3O2S.ClH/c1-9(2)13(18)16-10-4-3-5-11(6-10)17-14(19)12-7-20-8-15-12;/h3-6,9,12,15H,7-8H2,1-2H3,(H,16,18)(H,17,19);1H
InChIKeyLRUSXDLPANHJCW-UHFFFAOYSA-N
MW329.85 g/mol
LogP2.30
Rot. Bonds4

About N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride

N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119281758) has the molecular formula C14H20ClN3O2S and a molecular weight of 329.85 g/mol. Its IUPAC name is N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119281758
Molecular FormulaC14H20ClN3O2S
Molecular Weight329.85 g/mol
Exact Mass329.10
IUPAC NameN-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCC(C)C(=O)Nc1cccc(NC(=O)C2CSCN2)c1.Cl
InChIInChI=1S/C14H19N3O2S.ClH/c1-9(2)13(18)16-10-4-3-5-11(6-10)17-14(19)12-7-20-8-15-12;/h3-6,9,12,15H,7-8H2,1-2H3,(H,16,18)(H,17,19);1H
InChIKeyLRUSXDLPANHJCW-UHFFFAOYSA-N
XLogP2.30
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 52.30
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-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119281759
N-[3-(propanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 61250253
N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
CID 43710007
N-[3-(ethylcarbamoylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119307462
N-(3-ethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24703459
N-[3-(propan-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119306269
N-(3-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
CID 54862152
N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119262127
N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 61258442
N-[3-(propylsulfonylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119329973
N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119853195

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119281758) is N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is CC(C)C(=O)Nc1cccc(NC(=O)C2CSCN2)c1.Cl.
What is the InChIKey of N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is LRUSXDLPANHJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S.ClH/c1-9(2)13(18)16-10-4-3-5-11(6-10)17-14(19)12-7-20-8-15-12;/h3-6,9,12,15H,7-8H2,1-2H3,(H,16,18)(H,17,19);1H.
What are the key properties of N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 329.85 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119281758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).