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

C13H15N5OS — CID 119291914

IUPACN-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1nncn1-c1ccccc1)C1CSCN1
InChIInChI=1S/C13H15N5OS/c19-13(11-7-20-9-15-11)14-6-12-17-16-8-18(12)10-4-2-1-3-5-10/h1-5,8,11,15H,6-7,9H2,(H,14,19)
InChIKeyTWAAMOGWNXGMRM-UHFFFAOYSA-N
MW289.36 g/mol
LogP0.55
Rot. Bonds4

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

N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 119291914) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID119291914
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC NameN-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1nncn1-c1ccccc1)C1CSCN1
InChIInChI=1S/C13H15N5OS/c19-13(11-7-20-9-15-11)14-6-12-17-16-8-18(12)10-4-2-1-3-5-10/h1-5,8,11,15H,6-7,9H2,(H,14,19)
InChIKeyTWAAMOGWNXGMRM-UHFFFAOYSA-N
XLogP0.55
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide (CID 119291914) is N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide is O=C(NCc1nncn1-c1ccccc1)C1CSCN1.
What is the InChIKey of N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is TWAAMOGWNXGMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c19-13(11-7-20-9-15-11)14-6-12-17-16-8-18(12)10-4-2-1-3-5-10/h1-5,8,11,15H,6-7,9H2,(H,14,19).
What are the key properties of N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide?
N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119291914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).