N-(2-methylpentan-3-yl)thiadiazol-5-amine

C8H15N3S — CID 107649680

IUPACN-(2-methylpentan-3-yl)thiadiazol-5-amine
SMILESCCC(Nc1cnns1)C(C)C
InChIInChI=1S/C8H15N3S/c1-4-7(6(2)3)10-8-5-9-11-12-8/h5-7,10H,4H2,1-3H3
InChIKeyMWPSQXPELBDWLH-UHFFFAOYSA-N
MW185.30 g/mol
LogP2.38
Rot. Bonds4

About N-(2-methylpentan-3-yl)thiadiazol-5-amine

N-(2-methylpentan-3-yl)thiadiazol-5-amine (PubChem CID 107649680) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is N-(2-methylpentan-3-yl)thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methylpentan-3-yl)thiadiazol-5-amine
PubChem CID107649680
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC NameN-(2-methylpentan-3-yl)thiadiazol-5-amine
SMILESCCC(Nc1cnns1)C(C)C
InChIInChI=1S/C8H15N3S/c1-4-7(6(2)3)10-8-5-9-11-12-8/h5-7,10H,4H2,1-3H3
InChIKeyMWPSQXPELBDWLH-UHFFFAOYSA-N
XLogP2.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentan-3-yl)thiadiazol-5-amine?
The IUPAC name of N-(2-methylpentan-3-yl)thiadiazol-5-amine (CID 107649680) is N-(2-methylpentan-3-yl)thiadiazol-5-amine.
What is the SMILES notation for N-(2-methylpentan-3-yl)thiadiazol-5-amine?
The canonical SMILES for N-(2-methylpentan-3-yl)thiadiazol-5-amine is CCC(Nc1cnns1)C(C)C.
What is the InChIKey of N-(2-methylpentan-3-yl)thiadiazol-5-amine?
The InChIKey is MWPSQXPELBDWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-4-7(6(2)3)10-8-5-9-11-12-8/h5-7,10H,4H2,1-3H3.
What are the key properties of N-(2-methylpentan-3-yl)thiadiazol-5-amine?
N-(2-methylpentan-3-yl)thiadiazol-5-amine has a molecular weight of 185.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentan-3-yl)thiadiazol-5-amine is sourced from PubChem (CID 107649680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).