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

C12H21N3S — CID 65274507

IUPAC3-cyclopropyl-N-(5-methylhexan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)CCC(C)Nc1nc(C2CC2)ns1
InChIInChI=1S/C12H21N3S/c1-8(2)4-5-9(3)13-12-14-11(15-16-12)10-6-7-10/h8-10H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyWVJPAZZFJPRBII-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.65
Rot. Bonds6

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

3-cyclopropyl-N-(5-methylhexan-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65274507) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 3-cyclopropyl-N-(5-methylhexan-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(5-methylhexan-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65274507
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name3-cyclopropyl-N-(5-methylhexan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)CCC(C)Nc1nc(C2CC2)ns1
InChIInChI=1S/C12H21N3S/c1-8(2)4-5-9(3)13-12-14-11(15-16-12)10-6-7-10/h8-10H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyWVJPAZZFJPRBII-UHFFFAOYSA-N
XLogP3.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(5-methylhexan-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-(5-methylhexan-2-yl)-1,2,4-thiadiazol-5-amine (CID 65274507) is 3-cyclopropyl-N-(5-methylhexan-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-(5-methylhexan-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-(5-methylhexan-2-yl)-1,2,4-thiadiazol-5-amine is CC(C)CCC(C)Nc1nc(C2CC2)ns1.
What is the InChIKey of 3-cyclopropyl-N-(5-methylhexan-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is WVJPAZZFJPRBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-8(2)4-5-9(3)13-12-14-11(15-16-12)10-6-7-10/h8-10H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of 3-cyclopropyl-N-(5-methylhexan-2-yl)-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-(5-methylhexan-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 239.39 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(5-methylhexan-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65274507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).