2-[5-(thian-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine

C9H15N3S2 — CID 80596034

IUPAC2-[5-(thian-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESNCCc1nnc(C2CCCCS2)s1
InChIInChI=1S/C9H15N3S2/c10-5-4-8-11-12-9(14-8)7-3-1-2-6-13-7/h7H,1-6,10H2
InChIKeyLGWPTYZBPIVRSZ-UHFFFAOYSA-N
MW229.37 g/mol
LogP2.00
Rot. Bonds3

About 2-[5-(thian-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine

2-[5-(thian-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine (PubChem CID 80596034) has the molecular formula C9H15N3S2 and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-[5-(thian-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(thian-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
PubChem CID80596034
Molecular FormulaC9H15N3S2
Molecular Weight229.37 g/mol
Exact Mass229.07
IUPAC Name2-[5-(thian-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESNCCc1nnc(C2CCCCS2)s1
InChIInChI=1S/C9H15N3S2/c10-5-4-8-11-12-9(14-8)7-3-1-2-6-13-7/h7H,1-6,10H2
InChIKeyLGWPTYZBPIVRSZ-UHFFFAOYSA-N
XLogP2.00
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(thian-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(thian-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine (CID 80596034) is 2-[5-(thian-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(thian-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(thian-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine is NCCc1nnc(C2CCCCS2)s1.
What is the InChIKey of 2-[5-(thian-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The InChIKey is LGWPTYZBPIVRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S2/c10-5-4-8-11-12-9(14-8)7-3-1-2-6-13-7/h7H,1-6,10H2.
What are the key properties of 2-[5-(thian-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
2-[5-(thian-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine has a molecular weight of 229.37 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(thian-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine is sourced from PubChem (CID 80596034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).