4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiadiazol-5-amine

C6H8N6S2 — CID 104603985

IUPAC4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiadiazol-5-amine
SMILESCn1ncnc1SCc1nnsc1N
InChIInChI=1S/C6H8N6S2/c1-12-6(8-3-9-12)13-2-4-5(7)14-11-10-4/h3H,2,7H2,1H3
InChIKeyVDDCPYQERZFHGA-UHFFFAOYSA-N
MW228.31 g/mol
LogP0.54
Rot. Bonds3

About 4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiadiazol-5-amine

4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiadiazol-5-amine (PubChem CID 104603985) has the molecular formula C6H8N6S2 and a molecular weight of 228.31 g/mol. Its IUPAC name is 4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiadiazol-5-amine
PubChem CID104603985
Molecular FormulaC6H8N6S2
Molecular Weight228.31 g/mol
Exact Mass228.03
IUPAC Name4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiadiazol-5-amine
SMILESCn1ncnc1SCc1nnsc1N
InChIInChI=1S/C6H8N6S2/c1-12-6(8-3-9-12)13-2-4-5(7)14-11-10-4/h3H,2,7H2,1H3
InChIKeyVDDCPYQERZFHGA-UHFFFAOYSA-N
XLogP0.54
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-2-amine
CID 104604017
2-chloro-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-thiadiazole
CID 104602715
4-(phenylsulfanylmethyl)thiadiazol-5-amine
CID 62189604
5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2H-tetrazole
CID 130666192
4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiadiazol-5-amine
CID 115383644
4-[5-[(5-aminothiadiazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol
CID 62187551
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-3-carbohydrazide
CID 114199375
5-(2,2-difluoroethylsulfanyl)-1-methyl-1,2,4-triazole
CID 131176601
3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propanimidamide
CID 104603220
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
CID 104604202
5-(3-bromopropylsulfanyl)-1-methyl-1,2,4-triazole
CID 104602646
3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol
CID 104588098

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiadiazol-5-amine?
The IUPAC name of 4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiadiazol-5-amine (CID 104603985) is 4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiadiazol-5-amine?
The canonical SMILES for 4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiadiazol-5-amine is Cn1ncnc1SCc1nnsc1N.
What is the InChIKey of 4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiadiazol-5-amine?
The InChIKey is VDDCPYQERZFHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6S2/c1-12-6(8-3-9-12)13-2-4-5(7)14-11-10-4/h3H,2,7H2,1H3.
What are the key properties of 4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiadiazol-5-amine?
4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiadiazol-5-amine has a molecular weight of 228.31 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiadiazol-5-amine is sourced from PubChem (CID 104603985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).