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

C10H17N3S — CID 65271665

IUPAC3-cyclopropyl-N-(3-methylbutan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)C(C)Nc1nc(C2CC2)ns1
InChIInChI=1S/C10H17N3S/c1-6(2)7(3)11-10-12-9(13-14-10)8-4-5-8/h6-8H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyPWACPWCSEVYDLI-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.87
Rot. Bonds4

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

3-cyclopropyl-N-(3-methylbutan-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65271665) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 3-cyclopropyl-N-(3-methylbutan-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(3-methylbutan-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65271665
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name3-cyclopropyl-N-(3-methylbutan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)C(C)Nc1nc(C2CC2)ns1
InChIInChI=1S/C10H17N3S/c1-6(2)7(3)11-10-12-9(13-14-10)8-4-5-8/h6-8H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyPWACPWCSEVYDLI-UHFFFAOYSA-N
XLogP2.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(3-methylbutan-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-(3-methylbutan-2-yl)-1,2,4-thiadiazol-5-amine (CID 65271665) is 3-cyclopropyl-N-(3-methylbutan-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-(3-methylbutan-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-(3-methylbutan-2-yl)-1,2,4-thiadiazol-5-amine is CC(C)C(C)Nc1nc(C2CC2)ns1.
What is the InChIKey of 3-cyclopropyl-N-(3-methylbutan-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is PWACPWCSEVYDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-6(2)7(3)11-10-12-9(13-14-10)8-4-5-8/h6-8H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 3-cyclopropyl-N-(3-methylbutan-2-yl)-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-(3-methylbutan-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 211.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(3-methylbutan-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).