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

C7H10N6S — CID 80689655

IUPACN-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCn1cnc(CCNc2ncns2)n1
InChIInChI=1S/C7H10N6S/c1-13-5-10-6(12-13)2-3-8-7-9-4-11-14-7/h4-5H,2-3H2,1H3,(H,8,9,11)
InChIKeyFIMXINFWJRZLIB-UHFFFAOYSA-N
MW210.27 g/mol
LogP0.32
Rot. Bonds4

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

N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 80689655) has the molecular formula C7H10N6S and a molecular weight of 210.27 g/mol. Its IUPAC name is N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID80689655
Molecular FormulaC7H10N6S
Molecular Weight210.27 g/mol
Exact Mass210.07
IUPAC NameN-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCn1cnc(CCNc2ncns2)n1
InChIInChI=1S/C7H10N6S/c1-13-5-10-6(12-13)2-3-8-7-9-4-11-14-7/h4-5H,2-3H2,1H3,(H,8,9,11)
InChIKeyFIMXINFWJRZLIB-UHFFFAOYSA-N
XLogP0.32
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 106404734
6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 127447339
N-[2-(3,5-difluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 65273852
4-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,5-thiadiazol-3-amine
CID 80688542
5-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80853003
N-[2-(furan-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 164649587
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-amine
CID 106577175
6-chloro-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,5-diamine
CID 80681526
N-octyl-1,2,4-thiadiazol-5-amine
CID 115568955
6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridazin-3-amine
CID 80689016
5-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-amine
CID 106577201
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274494

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-thiadiazol-5-amine (CID 80689655) is N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-thiadiazol-5-amine is Cn1cnc(CCNc2ncns2)n1.
What is the InChIKey of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is FIMXINFWJRZLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6S/c1-13-5-10-6(12-13)2-3-8-7-9-4-11-14-7/h4-5H,2-3H2,1H3,(H,8,9,11).
What are the key properties of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-thiadiazol-5-amine?
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 210.27 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 80689655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).