N-(1-cyclobutylpropyl)thiadiazol-5-amine

C9H15N3S — CID 130680242

IUPACN-(1-cyclobutylpropyl)thiadiazol-5-amine
SMILESCCC(Nc1cnns1)C1CCC1
InChIInChI=1S/C9H15N3S/c1-2-8(7-4-3-5-7)11-9-6-10-12-13-9/h6-8,11H,2-5H2,1H3
InChIKeyPQNRPWHCZPQAQC-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.53
Rot. Bonds4

About N-(1-cyclobutylpropyl)thiadiazol-5-amine

N-(1-cyclobutylpropyl)thiadiazol-5-amine (PubChem CID 130680242) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is N-(1-cyclobutylpropyl)thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1-cyclobutylpropyl)thiadiazol-5-amine
PubChem CID130680242
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC NameN-(1-cyclobutylpropyl)thiadiazol-5-amine
SMILESCCC(Nc1cnns1)C1CCC1
InChIInChI=1S/C9H15N3S/c1-2-8(7-4-3-5-7)11-9-6-10-12-13-9/h6-8,11H,2-5H2,1H3
InChIKeyPQNRPWHCZPQAQC-UHFFFAOYSA-N
XLogP2.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylpropyl)thiadiazol-5-amine?
The IUPAC name of N-(1-cyclobutylpropyl)thiadiazol-5-amine (CID 130680242) is N-(1-cyclobutylpropyl)thiadiazol-5-amine.
What is the SMILES notation for N-(1-cyclobutylpropyl)thiadiazol-5-amine?
The canonical SMILES for N-(1-cyclobutylpropyl)thiadiazol-5-amine is CCC(Nc1cnns1)C1CCC1.
What is the InChIKey of N-(1-cyclobutylpropyl)thiadiazol-5-amine?
The InChIKey is PQNRPWHCZPQAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-2-8(7-4-3-5-7)11-9-6-10-12-13-9/h6-8,11H,2-5H2,1H3.
What are the key properties of N-(1-cyclobutylpropyl)thiadiazol-5-amine?
N-(1-cyclobutylpropyl)thiadiazol-5-amine has a molecular weight of 197.31 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylpropyl)thiadiazol-5-amine is sourced from PubChem (CID 130680242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).