N-(1-cyclopropylethyl)-3-methyl-1,2,4-thiadiazol-5-amine

C8H13N3S — CID 65268094

IUPACN-(1-cyclopropylethyl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC(C)C2CC2)n1
InChIInChI=1S/C8H13N3S/c1-5(7-3-4-7)9-8-10-6(2)11-12-8/h5,7H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyHVMWPMLHMRXDMM-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.06
Rot. Bonds3

About N-(1-cyclopropylethyl)-3-methyl-1,2,4-thiadiazol-5-amine

N-(1-cyclopropylethyl)-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 65268094) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID65268094
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC NameN-(1-cyclopropylethyl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC(C)C2CC2)n1
InChIInChI=1S/C8H13N3S/c1-5(7-3-4-7)9-8-10-6(2)11-12-8/h5,7H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyHVMWPMLHMRXDMM-UHFFFAOYSA-N
XLogP2.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1-cyclopropylethyl)-3-methyl-1,2,4-thiadiazol-5-amine (CID 65268094) is N-(1-cyclopropylethyl)-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1-cyclopropylethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1-cyclopropylethyl)-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(NC(C)C2CC2)n1.
What is the InChIKey of N-(1-cyclopropylethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is HVMWPMLHMRXDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-5(7-3-4-7)9-8-10-6(2)11-12-8/h5,7H,3-4H2,1-2H3,(H,9,10,11).
What are the key properties of N-(1-cyclopropylethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
N-(1-cyclopropylethyl)-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 183.28 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).