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

C14H20ClN3O2S — CID 119298473

IUPACN-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCC(C)NC(=O)c1ccc(NC(=O)C2CSCN2)cc1.Cl
InChIInChI=1S/C14H19N3O2S.ClH/c1-9(2)16-13(18)10-3-5-11(6-4-10)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
InChIKeyIYAYXYNHSNHEFK-UHFFFAOYSA-N
MW329.85 g/mol
LogP1.85
Rot. Bonds4

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

N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119298473) has the molecular formula C14H20ClN3O2S and a molecular weight of 329.85 g/mol. Its IUPAC name is N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119298473
Molecular FormulaC14H20ClN3O2S
Molecular Weight329.85 g/mol
Exact Mass329.10
IUPAC NameN-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCC(C)NC(=O)c1ccc(NC(=O)C2CSCN2)cc1.Cl
InChIInChI=1S/C14H19N3O2S.ClH/c1-9(2)16-13(18)10-3-5-11(6-4-10)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
InChIKeyIYAYXYNHSNHEFK-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119740054
N-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 47003209
N-(4-tert-butylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24691196
(4S)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 130718908
N-[4-(2-methoxyethoxy)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43713460
N-[4-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43617089
N-[4-[(2-methoxyacetyl)amino]phenyl]-1,3-thiazolidine-4-carboxamide
CID 43708166
N-(4-carbamoyl-3-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119318629
N-(3,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 50988129
N-(4-tert-butylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119042537
N-pyridin-4-yl-1,3-thiazolidine-4-carboxamide
CID 24692510
N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119281758

Frequently Asked Questions

What is the IUPAC name of N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119298473) is N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is CC(C)NC(=O)c1ccc(NC(=O)C2CSCN2)cc1.Cl.
What is the InChIKey of N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is IYAYXYNHSNHEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S.ClH/c1-9(2)16-13(18)10-3-5-11(6-4-10)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-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 329.85 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119298473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).