N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

C8H9N5O2S — CID 136832159

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCc1nc(NC(=O)c2n[nH]c(=O)[nH]2)sc1C
InChIInChI=1S/C8H9N5O2S/c1-3-4(2)16-8(9-3)11-6(14)5-10-7(15)13-12-5/h1-2H3,(H,9,11,14)(H2,10,12,13,15)
InChIKeyGKRMUWSTJDLSPX-UHFFFAOYSA-N
MW239.26 g/mol
LogP0.42
Rot. Bonds2

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 136832159) has the molecular formula C8H9N5O2S and a molecular weight of 239.26 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID136832159
Molecular FormulaC8H9N5O2S
Molecular Weight239.26 g/mol
Exact Mass239.05
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCc1nc(NC(=O)c2n[nH]c(=O)[nH]2)sc1C
InChIInChI=1S/C8H9N5O2S/c1-3-4(2)16-8(9-3)11-6(14)5-10-7(15)13-12-5/h1-2H3,(H,9,11,14)(H2,10,12,13,15)
InChIKeyGKRMUWSTJDLSPX-UHFFFAOYSA-N
XLogP0.42
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 136832159) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is Cc1nc(NC(=O)c2n[nH]c(=O)[nH]2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is GKRMUWSTJDLSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2S/c1-3-4(2)16-8(9-3)11-6(14)5-10-7(15)13-12-5/h1-2H3,(H,9,11,14)(H2,10,12,13,15).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 239.26 g/mol, XLogP of 0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136832159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).