4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-methylthiadiazol-5-amine

C12H16N6S2 — CID 62189084

IUPAC4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1CSc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C12H16N6S2/c1-13-11-9(14-17-20-11)6-19-12-16-15-10(7-2-3-7)18(12)8-4-5-8/h7-8,13H,2-6H2,1H3
InChIKeyWEXDQEIRIWCJOW-UHFFFAOYSA-N
MW308.44 g/mol
LogP2.68
Rot. Bonds6

About 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-methylthiadiazol-5-amine

4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-methylthiadiazol-5-amine (PubChem CID 62189084) has the molecular formula C12H16N6S2 and a molecular weight of 308.44 g/mol. Its IUPAC name is 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-methylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-methylthiadiazol-5-amine
PubChem CID62189084
Molecular FormulaC12H16N6S2
Molecular Weight308.44 g/mol
Exact Mass308.09
IUPAC Name4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1CSc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C12H16N6S2/c1-13-11-9(14-17-20-11)6-19-12-16-15-10(7-2-3-7)18(12)8-4-5-8/h7-8,13H,2-6H2,1H3
InChIKeyWEXDQEIRIWCJOW-UHFFFAOYSA-N
XLogP2.68
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 17483257
4-cyclopropyl-3-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one
CID 62883131
1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-amine
CID 64619892
4-cyclopropyl-3-[(5-hydrazinylthiadiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one
CID 62883136
N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3,3-dimethylbutan-1-amine
CID 62577706
3,4-dicyclopropyl-5-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,2,4-triazole
CID 9027504
4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-(methylamino)butanoic acid
CID 63035364
ethyl N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]carbamate
CID 9379063
1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylbutan-2-amine
CID 64619312
1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethylbutan-2-amine
CID 64620089
8-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline
CID 42021119
4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-N-propylthiadiazol-5-amine
CID 62188403

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-methylthiadiazol-5-amine?
The IUPAC name of 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-methylthiadiazol-5-amine (CID 62189084) is 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-methylthiadiazol-5-amine.
What is the SMILES notation for 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-methylthiadiazol-5-amine?
The canonical SMILES for 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-methylthiadiazol-5-amine is CNc1snnc1CSc1nnc(C2CC2)n1C1CC1.
What is the InChIKey of 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-methylthiadiazol-5-amine?
The InChIKey is WEXDQEIRIWCJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6S2/c1-13-11-9(14-17-20-11)6-19-12-16-15-10(7-2-3-7)18(12)8-4-5-8/h7-8,13H,2-6H2,1H3.
What are the key properties of 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-methylthiadiazol-5-amine?
4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-methylthiadiazol-5-amine has a molecular weight of 308.44 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-methylthiadiazol-5-amine is sourced from PubChem (CID 62189084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).