4-methyl-N-(1,2,4-triazol-4-yl)thiadiazole-5-carboxamide

C6H6N6OS — CID 21008276

IUPAC4-methyl-N-(1,2,4-triazol-4-yl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nn1cnnc1
InChIInChI=1S/C6H6N6OS/c1-4-5(14-11-9-4)6(13)10-12-2-7-8-3-12/h2-3H,1H3,(H,10,13)
InChIKeyCOQYLXHYORRZHY-UHFFFAOYSA-N
MW210.22 g/mol
LogP-0.18
Rot. Bonds2

About 4-methyl-N-(1,2,4-triazol-4-yl)thiadiazole-5-carboxamide

4-methyl-N-(1,2,4-triazol-4-yl)thiadiazole-5-carboxamide (PubChem CID 21008276) has the molecular formula C6H6N6OS and a molecular weight of 210.22 g/mol. Its IUPAC name is 4-methyl-N-(1,2,4-triazol-4-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(1,2,4-triazol-4-yl)thiadiazole-5-carboxamide
PubChem CID21008276
Molecular FormulaC6H6N6OS
Molecular Weight210.22 g/mol
Exact Mass210.03
IUPAC Name4-methyl-N-(1,2,4-triazol-4-yl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nn1cnnc1
InChIInChI=1S/C6H6N6OS/c1-4-5(14-11-9-4)6(13)10-12-2-7-8-3-12/h2-3H,1H3,(H,10,13)
InChIKeyCOQYLXHYORRZHY-UHFFFAOYSA-N
XLogP-0.18
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyano-4-methylthiadiazole-5-carboxamide
CID 79195320
N-ethyl-4-methylthiadiazole-5-carboxamide
CID 60660728
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CID 103144442
N,N'-bis(1,2,4-triazol-4-yl)oxamide
CID 2718211
N-(2,6-difluoro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide
CID 103098047
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide
CID 20719818
4-methyl-N-[3-(tetrazol-1-yl)phenyl]thiadiazole-5-carboxamide
CID 146021769
4-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiadiazole-5-carboxamide
CID 146075706
N-(4-chloro-2-iodophenyl)-4-methylthiadiazole-5-carboxamide
CID 103579448
N-(3-hydroxy-4-methylphenyl)-4-methylthiadiazole-5-carboxamide
CID 64792721
N-(3,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide
CID 7293435
4-methyl-N-[(3R)-pyrrolidin-3-yl]thiadiazole-5-carboxamide
CID 79685772

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1,2,4-triazol-4-yl)thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(1,2,4-triazol-4-yl)thiadiazole-5-carboxamide (CID 21008276) is 4-methyl-N-(1,2,4-triazol-4-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(1,2,4-triazol-4-yl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(1,2,4-triazol-4-yl)thiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nn1cnnc1.
What is the InChIKey of 4-methyl-N-(1,2,4-triazol-4-yl)thiadiazole-5-carboxamide?
The InChIKey is COQYLXHYORRZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N6OS/c1-4-5(14-11-9-4)6(13)10-12-2-7-8-3-12/h2-3H,1H3,(H,10,13).
What are the key properties of 4-methyl-N-(1,2,4-triazol-4-yl)thiadiazole-5-carboxamide?
4-methyl-N-(1,2,4-triazol-4-yl)thiadiazole-5-carboxamide has a molecular weight of 210.22 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1,2,4-triazol-4-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 21008276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).