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

C10H17N3S — CID 65269177

IUPACN-cyclopropyl-3-(3-methylbutyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)CCc1nsc(NC2CC2)n1
InChIInChI=1S/C10H17N3S/c1-7(2)3-6-9-12-10(14-13-9)11-8-4-5-8/h7-8H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyQPRABIDOIGTMIZ-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.70
Rot. Bonds5

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

N-cyclopropyl-3-(3-methylbutyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65269177) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-cyclopropyl-3-(3-methylbutyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-(3-methylbutyl)-1,2,4-thiadiazol-5-amine
PubChem CID65269177
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-cyclopropyl-3-(3-methylbutyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)CCc1nsc(NC2CC2)n1
InChIInChI=1S/C10H17N3S/c1-7(2)3-6-9-12-10(14-13-9)11-8-4-5-8/h7-8H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyQPRABIDOIGTMIZ-UHFFFAOYSA-N
XLogP2.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(3-methylbutyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-cyclopropyl-3-(3-methylbutyl)-1,2,4-thiadiazol-5-amine (CID 65269177) is N-cyclopropyl-3-(3-methylbutyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-cyclopropyl-3-(3-methylbutyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-cyclopropyl-3-(3-methylbutyl)-1,2,4-thiadiazol-5-amine is CC(C)CCc1nsc(NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-3-(3-methylbutyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is QPRABIDOIGTMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-7(2)3-6-9-12-10(14-13-9)11-8-4-5-8/h7-8H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of N-cyclopropyl-3-(3-methylbutyl)-1,2,4-thiadiazol-5-amine?
N-cyclopropyl-3-(3-methylbutyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 211.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(3-methylbutyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65269177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).