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

C9H17N3S — CID 65267973

IUPAC3-methyl-N-(4-methylpentan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC(C)CC(C)C)n1
InChIInChI=1S/C9H17N3S/c1-6(2)5-7(3)10-9-11-8(4)12-13-9/h6-7H,5H2,1-4H3,(H,10,11,12)
InChIKeyIJSMINCOKYGCRJ-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.69
Rot. Bonds4

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

3-methyl-N-(4-methylpentan-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65267973) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 3-methyl-N-(4-methylpentan-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(4-methylpentan-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65267973
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name3-methyl-N-(4-methylpentan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC(C)CC(C)C)n1
InChIInChI=1S/C9H17N3S/c1-6(2)5-7(3)10-9-11-8(4)12-13-9/h6-7H,5H2,1-4H3,(H,10,11,12)
InChIKeyIJSMINCOKYGCRJ-UHFFFAOYSA-N
XLogP2.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylpentan-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-(4-methylpentan-2-yl)-1,2,4-thiadiazol-5-amine (CID 65267973) is 3-methyl-N-(4-methylpentan-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(4-methylpentan-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(4-methylpentan-2-yl)-1,2,4-thiadiazol-5-amine is Cc1nsc(NC(C)CC(C)C)n1.
What is the InChIKey of 3-methyl-N-(4-methylpentan-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is IJSMINCOKYGCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-6(2)5-7(3)10-9-11-8(4)12-13-9/h6-7H,5H2,1-4H3,(H,10,11,12).
What are the key properties of 3-methyl-N-(4-methylpentan-2-yl)-1,2,4-thiadiazol-5-amine?
3-methyl-N-(4-methylpentan-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 199.32 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylpentan-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).