3-cyclopropyl-N-(1-ethylsulfanylpropan-2-yl)-N-methyl-1,2,4-thiadiazol-5-amine

C11H19N3S2 — CID 71913148

IUPAC3-cyclopropyl-N-(1-ethylsulfanylpropan-2-yl)-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCCSCC(C)N(C)c1nc(C2CC2)ns1
InChIInChI=1S/C11H19N3S2/c1-4-15-7-8(2)14(3)11-12-10(13-16-11)9-5-6-9/h8-9H,4-7H2,1-3H3
InChIKeyFUKGWKISCIPGGO-UHFFFAOYSA-N
MW257.43 g/mol
LogP2.99
Rot. Bonds6

About 3-cyclopropyl-N-(1-ethylsulfanylpropan-2-yl)-N-methyl-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-(1-ethylsulfanylpropan-2-yl)-N-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 71913148) has the molecular formula C11H19N3S2 and a molecular weight of 257.43 g/mol. Its IUPAC name is 3-cyclopropyl-N-(1-ethylsulfanylpropan-2-yl)-N-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(1-ethylsulfanylpropan-2-yl)-N-methyl-1,2,4-thiadiazol-5-amine
PubChem CID71913148
Molecular FormulaC11H19N3S2
Molecular Weight257.43 g/mol
Exact Mass257.10
IUPAC Name3-cyclopropyl-N-(1-ethylsulfanylpropan-2-yl)-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCCSCC(C)N(C)c1nc(C2CC2)ns1
InChIInChI=1S/C11H19N3S2/c1-4-15-7-8(2)14(3)11-12-10(13-16-11)9-5-6-9/h8-9H,4-7H2,1-3H3
InChIKeyFUKGWKISCIPGGO-UHFFFAOYSA-N
XLogP2.99
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.43
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(1-ethylsulfanylpropan-2-yl)-N-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-(1-ethylsulfanylpropan-2-yl)-N-methyl-1,2,4-thiadiazol-5-amine (CID 71913148) is 3-cyclopropyl-N-(1-ethylsulfanylpropan-2-yl)-N-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-(1-ethylsulfanylpropan-2-yl)-N-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-(1-ethylsulfanylpropan-2-yl)-N-methyl-1,2,4-thiadiazol-5-amine is CCSCC(C)N(C)c1nc(C2CC2)ns1.
What is the InChIKey of 3-cyclopropyl-N-(1-ethylsulfanylpropan-2-yl)-N-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is FUKGWKISCIPGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S2/c1-4-15-7-8(2)14(3)11-12-10(13-16-11)9-5-6-9/h8-9H,4-7H2,1-3H3.
What are the key properties of 3-cyclopropyl-N-(1-ethylsulfanylpropan-2-yl)-N-methyl-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-(1-ethylsulfanylpropan-2-yl)-N-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 257.43 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(1-ethylsulfanylpropan-2-yl)-N-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 71913148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).