2-methyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,4-thiadiazole

C6H7N5S2 — CID 126988004

IUPAC2-methyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,4-thiadiazole
SMILESCc1nnc(CSc2ncn[nH]2)s1
InChIInChI=1S/C6H7N5S2/c1-4-9-10-5(13-4)2-12-6-7-3-8-11-6/h3H,2H2,1H3,(H,7,8,11)
InChIKeyAJRPXOMOWNRAMV-UHFFFAOYSA-N
MW213.29 g/mol
LogP1.26
Rot. Bonds3

About 2-methyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,4-thiadiazole

2-methyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,4-thiadiazole (PubChem CID 126988004) has the molecular formula C6H7N5S2 and a molecular weight of 213.29 g/mol. Its IUPAC name is 2-methyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,4-thiadiazole
PubChem CID126988004
Molecular FormulaC6H7N5S2
Molecular Weight213.29 g/mol
Exact Mass213.01
IUPAC Name2-methyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,4-thiadiazole
SMILESCc1nnc(CSc2ncn[nH]2)s1
InChIInChI=1S/C6H7N5S2/c1-4-9-10-5(13-4)2-12-6-7-3-8-11-6/h3H,2H2,1H3,(H,7,8,11)
InChIKeyAJRPXOMOWNRAMV-UHFFFAOYSA-N
XLogP1.26
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1H-1,2,4-triazol-5-ylsulfanylmethanamine
CID 67903702
3,5-dimethyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-4-amine
CID 103183329
5-(methoxymethylsulfanyl)-1H-1,2,4-triazole
CID 21177764
5-(thiophen-3-ylmethylsulfanyl)-1H-1,2,4-triazole
CID 142174785
N'-hydroxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanimidamide
CID 71393351
(2S)-1-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol
CID 106933255
2-ethyl-7-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 7631076
5-(furan-2-ylmethylsulfanyl)-1H-1,2,4-triazole
CID 68957437
2-methyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-3-carboxylic acid
CID 43477282
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 47057944
ethyl 2-(1H-1,2,4-triazol-5-ylsulfanyl)acetate
CID 799674
N-methyl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-2-amine
CID 62467120

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,4-thiadiazole (CID 126988004) is 2-methyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,4-thiadiazole is Cc1nnc(CSc2ncn[nH]2)s1.
What is the InChIKey of 2-methyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,4-thiadiazole?
The InChIKey is AJRPXOMOWNRAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5S2/c1-4-9-10-5(13-4)2-12-6-7-3-8-11-6/h3H,2H2,1H3,(H,7,8,11).
What are the key properties of 2-methyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,4-thiadiazole?
2-methyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,4-thiadiazole has a molecular weight of 213.29 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 126988004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).