N-[4-(triazol-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide

C12H13N5OS — CID 43697835

IUPACN-[4-(triazol-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1ccc(-n2nccn2)cc1)C1CSCN1
InChIInChI=1S/C12H13N5OS/c18-12(11-7-19-8-13-11)16-9-1-3-10(4-2-9)17-14-5-6-15-17/h1-6,11,13H,7-8H2,(H,16,18)
InChIKeyOXXALEJUWCBHBJ-UHFFFAOYSA-N
MW275.34 g/mol
LogP0.87
Rot. Bonds3

About N-[4-(triazol-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide

N-[4-(triazol-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 43697835) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is N-[4-(triazol-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(triazol-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide
PubChem CID43697835
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC NameN-[4-(triazol-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1ccc(-n2nccn2)cc1)C1CSCN1
InChIInChI=1S/C12H13N5OS/c18-12(11-7-19-8-13-11)16-9-1-3-10(4-2-9)17-14-5-6-15-17/h1-6,11,13H,7-8H2,(H,16,18)
InChIKeyOXXALEJUWCBHBJ-UHFFFAOYSA-N
XLogP0.87
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-pyridin-4-yl-1,3-thiazolidine-4-carboxamide
CID 24692510
(2R)-N-[4-(triazol-2-yl)phenyl]piperidine-2-carboxamide
CID 103809385
(2S)-N-[4-(triazol-2-yl)phenyl]piperidine-2-carboxamide
CID 103809386
N-(4-tert-butylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24691196
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119276619
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-quinoxalin-6-yl-1,3-thiazolidine-4-carboxamide
CID 54862020
N-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 47003209
N-(6-bromo-3-pyridinyl)-1,3-thiazolidine-4-carboxamide
CID 110672131
(4S)-N-thiophen-3-yl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119326722
N-(3,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 50988129

Frequently Asked Questions

What is the IUPAC name of N-[4-(triazol-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[4-(triazol-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide (CID 43697835) is N-[4-(triazol-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[4-(triazol-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[4-(triazol-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide is O=C(Nc1ccc(-n2nccn2)cc1)C1CSCN1.
What is the InChIKey of N-[4-(triazol-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is OXXALEJUWCBHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c18-12(11-7-19-8-13-11)16-9-1-3-10(4-2-9)17-14-5-6-15-17/h1-6,11,13H,7-8H2,(H,16,18).
What are the key properties of N-[4-(triazol-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide?
N-[4-(triazol-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 275.34 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(triazol-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 43697835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).