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

C6H7N5S4 — CID 115383644

IUPAC4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiadiazol-5-amine
SMILESCSc1nnc(SCc2nnsc2N)s1
InChIInChI=1S/C6H7N5S4/c1-12-5-9-10-6(14-5)13-2-3-4(7)15-11-8-3/h2,7H2,1H3
InChIKeyNMQAGAURMRUJIF-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.99
Rot. Bonds4

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

4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiadiazol-5-amine (PubChem CID 115383644) has the molecular formula C6H7N5S4 and a molecular weight of 277.43 g/mol. Its IUPAC name is 4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiadiazol-5-amine
PubChem CID115383644
Molecular FormulaC6H7N5S4
Molecular Weight277.43 g/mol
Exact Mass276.96
IUPAC Name4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiadiazol-5-amine
SMILESCSc1nnc(SCc2nnsc2N)s1
InChIInChI=1S/C6H7N5S4/c1-12-5-9-10-6(14-5)13-2-3-4(7)15-11-8-3/h2,7H2,1H3
InChIKeyNMQAGAURMRUJIF-UHFFFAOYSA-N
XLogP1.99
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-(1,3-benzothiazol-2-ylsulfanylmethyl)thiadiazol-5-amine
CID 62187667
4-(phenylsulfanylmethyl)thiadiazol-5-amine
CID 62189604
2-N,2-N-dimethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 46670988
4-[(2,5-difluorophenyl)sulfanylmethyl]thiadiazol-5-amine
CID 62188783
4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiadiazol-5-amine
CID 104603985
2-(methoxymethylsulfanyl)-5-methylsulfanyl-1,3,4-thiadiazole
CID 22889812
2-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 47134588
2-methylsulfanyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole
CID 89302858
4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-N-ethylthiadiazol-5-amine
CID 63737504
6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine
CID 106808519
3-[(5-aminothiadiazol-4-yl)methylsulfanyl]propan-1-ol
CID 66128335
2-(3-bromopropylsulfanyl)-5-methylsulfanyl-1,3,4-thiadiazole
CID 115382657

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiadiazol-5-amine?
The IUPAC name of 4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiadiazol-5-amine (CID 115383644) is 4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiadiazol-5-amine?
The canonical SMILES for 4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiadiazol-5-amine is CSc1nnc(SCc2nnsc2N)s1.
What is the InChIKey of 4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiadiazol-5-amine?
The InChIKey is NMQAGAURMRUJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5S4/c1-12-5-9-10-6(14-5)13-2-3-4(7)15-11-8-3/h2,7H2,1H3.
What are the key properties of 4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiadiazol-5-amine?
4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiadiazol-5-amine has a molecular weight of 277.43 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiadiazol-5-amine is sourced from PubChem (CID 115383644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).