N-pentan-3-yl-1,2,4-thiadiazol-5-amine

C7H13N3S — CID 65272145

IUPACN-pentan-3-yl-1,2,4-thiadiazol-5-amine
SMILESCCC(CC)Nc1ncns1
InChIInChI=1S/C7H13N3S/c1-3-6(4-2)10-7-8-5-9-11-7/h5-6H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyISJCVVVURGCNMU-UHFFFAOYSA-N
MW171.27 g/mol
LogP2.14
Rot. Bonds4

About N-pentan-3-yl-1,2,4-thiadiazol-5-amine

N-pentan-3-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65272145) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is N-pentan-3-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-pentan-3-yl-1,2,4-thiadiazol-5-amine
PubChem CID65272145
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC NameN-pentan-3-yl-1,2,4-thiadiazol-5-amine
SMILESCCC(CC)Nc1ncns1
InChIInChI=1S/C7H13N3S/c1-3-6(4-2)10-7-8-5-9-11-7/h5-6H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyISJCVVVURGCNMU-UHFFFAOYSA-N
XLogP2.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-pentan-3-yl-1,2,4-thiadiazol-5-amine (CID 65272145) is N-pentan-3-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-pentan-3-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-pentan-3-yl-1,2,4-thiadiazol-5-amine is CCC(CC)Nc1ncns1.
What is the InChIKey of N-pentan-3-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is ISJCVVVURGCNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-3-6(4-2)10-7-8-5-9-11-7/h5-6H,3-4H2,1-2H3,(H,8,9,10).
What are the key properties of N-pentan-3-yl-1,2,4-thiadiazol-5-amine?
N-pentan-3-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 171.27 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65272145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).