N-(1H-1,2,4-triazol-5-yl)-1,3-thiazolidine-4-carboxamide

C6H9N5OS — CID 130628578

IUPACN-(1H-1,2,4-triazol-5-yl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1ncn[nH]1)C1CSCN1
InChIInChI=1S/C6H9N5OS/c12-5(4-1-13-3-8-4)10-6-7-2-9-11-6/h2,4,8H,1,3H2,(H2,7,9,10,11,12)
InChIKeyVSNSGNCZNOGQQF-UHFFFAOYSA-N
MW199.24 g/mol
LogP-0.59
Rot. Bonds2

About N-(1H-1,2,4-triazol-5-yl)-1,3-thiazolidine-4-carboxamide

N-(1H-1,2,4-triazol-5-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 130628578) has the molecular formula C6H9N5OS and a molecular weight of 199.24 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID130628578
Molecular FormulaC6H9N5OS
Molecular Weight199.24 g/mol
Exact Mass199.05
IUPAC NameN-(1H-1,2,4-triazol-5-yl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1ncn[nH]1)C1CSCN1
InChIInChI=1S/C6H9N5OS/c12-5(4-1-13-3-8-4)10-6-7-2-9-11-6/h2,4,8H,1,3H2,(H2,7,9,10,11,12)
InChIKeyVSNSGNCZNOGQQF-UHFFFAOYSA-N
XLogP-0.59
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-yl)-1,3-thiazolidine-4-carboxamide (CID 130628578) is N-(1H-1,2,4-triazol-5-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-yl)-1,3-thiazolidine-4-carboxamide is O=C(Nc1ncn[nH]1)C1CSCN1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is VSNSGNCZNOGQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5OS/c12-5(4-1-13-3-8-4)10-6-7-2-9-11-6/h2,4,8H,1,3H2,(H2,7,9,10,11,12).
What are the key properties of N-(1H-1,2,4-triazol-5-yl)-1,3-thiazolidine-4-carboxamide?
N-(1H-1,2,4-triazol-5-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 199.24 g/mol, XLogP of -0.59, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 130628578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).