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

C7H13N3S — CID 65271610

IUPACN-(3-methylbutan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)C(C)Nc1ncns1
InChIInChI=1S/C7H13N3S/c1-5(2)6(3)10-7-8-4-9-11-7/h4-6H,1-3H3,(H,8,9,10)
InChIKeyTZRHPELLZMDVKT-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.99
Rot. Bonds3

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

N-(3-methylbutan-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65271610) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65271610
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC NameN-(3-methylbutan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)C(C)Nc1ncns1
InChIInChI=1S/C7H13N3S/c1-5(2)6(3)10-7-8-4-9-11-7/h4-6H,1-3H3,(H,8,9,10)
InChIKeyTZRHPELLZMDVKT-UHFFFAOYSA-N
XLogP1.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(3-methylbutan-2-yl)-1,2,4-thiadiazol-5-amine (CID 65271610) is N-(3-methylbutan-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(3-methylbutan-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(3-methylbutan-2-yl)-1,2,4-thiadiazol-5-amine is CC(C)C(C)Nc1ncns1.
What is the InChIKey of N-(3-methylbutan-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is TZRHPELLZMDVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-5(2)6(3)10-7-8-4-9-11-7/h4-6H,1-3H3,(H,8,9,10).
What are the key properties of N-(3-methylbutan-2-yl)-1,2,4-thiadiazol-5-amine?
N-(3-methylbutan-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 171.27 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).