1-(1,2,4-thiadiazol-5-yl)pentan-2-amine

C7H13N3S — CID 65280234

IUPAC1-(1,2,4-thiadiazol-5-yl)pentan-2-amine
SMILESCCCC(N)Cc1ncns1
InChIInChI=1S/C7H13N3S/c1-2-3-6(8)4-7-9-5-10-11-7/h5-6H,2-4,8H2,1H3
InChIKeyPEOCECLSQJWXFU-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.21
Rot. Bonds4

About 1-(1,2,4-thiadiazol-5-yl)pentan-2-amine

1-(1,2,4-thiadiazol-5-yl)pentan-2-amine (PubChem CID 65280234) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is 1-(1,2,4-thiadiazol-5-yl)pentan-2-amine.

Molecular Properties

Compound Name1-(1,2,4-thiadiazol-5-yl)pentan-2-amine
PubChem CID65280234
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC Name1-(1,2,4-thiadiazol-5-yl)pentan-2-amine
SMILESCCCC(N)Cc1ncns1
InChIInChI=1S/C7H13N3S/c1-2-3-6(8)4-7-9-5-10-11-7/h5-6H,2-4,8H2,1H3
InChIKeyPEOCECLSQJWXFU-UHFFFAOYSA-N
XLogP1.21
TPSA51.80 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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-thiadiazol-5-yl)pentan-2-amine?
The IUPAC name of 1-(1,2,4-thiadiazol-5-yl)pentan-2-amine (CID 65280234) is 1-(1,2,4-thiadiazol-5-yl)pentan-2-amine.
What is the SMILES notation for 1-(1,2,4-thiadiazol-5-yl)pentan-2-amine?
The canonical SMILES for 1-(1,2,4-thiadiazol-5-yl)pentan-2-amine is CCCC(N)Cc1ncns1.
What is the InChIKey of 1-(1,2,4-thiadiazol-5-yl)pentan-2-amine?
The InChIKey is PEOCECLSQJWXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-2-3-6(8)4-7-9-5-10-11-7/h5-6H,2-4,8H2,1H3.
What are the key properties of 1-(1,2,4-thiadiazol-5-yl)pentan-2-amine?
1-(1,2,4-thiadiazol-5-yl)pentan-2-amine has a molecular weight of 171.27 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-thiadiazol-5-yl)pentan-2-amine is sourced from PubChem (CID 65280234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).