3-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-amine

C7H13N3S2 — CID 43530640

IUPAC3-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-amine
SMILESCCC(CCN)Sc1nncs1
InChIInChI=1S/C7H13N3S2/c1-2-6(3-4-8)12-7-10-9-5-11-7/h5-6H,2-4,8H2,1H3
InChIKeyQZRMNQVFUQILRK-UHFFFAOYSA-N
MW203.34 g/mol
LogP1.76
Rot. Bonds5

About 3-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-amine

3-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-amine (PubChem CID 43530640) has the molecular formula C7H13N3S2 and a molecular weight of 203.34 g/mol. Its IUPAC name is 3-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-amine.

Molecular Properties

Compound Name3-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-amine
PubChem CID43530640
Molecular FormulaC7H13N3S2
Molecular Weight203.34 g/mol
Exact Mass203.06
IUPAC Name3-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-amine
SMILESCCC(CCN)Sc1nncs1
InChIInChI=1S/C7H13N3S2/c1-2-6(3-4-8)12-7-10-9-5-11-7/h5-6H,2-4,8H2,1H3
InChIKeyQZRMNQVFUQILRK-UHFFFAOYSA-N
XLogP1.76
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,4,4-Trifluoro-3-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine
CID 43753428
1-(1,3,4-Thiadiazol-2-ylsulfanyl)butan-2-amine
CID 64650551
3-(1,3,4-Thiadiazol-2-ylsulfanyl)propan-1-amine
CID 28374322
2-Methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
CID 43530641
4-(1,3,4-Thiadiazol-2-ylsulfanyl)butan-1-amine
CID 43530647
3-(1,3,4-Thiadiazol-2-ylsulfanyl)butan-1-amine
CID 60915394
N-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
CID 61386358
5-(1,3,4-Thiadiazol-2-ylsulfanyl)pentan-1-amine
CID 61522825
3,3-Dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine
CID 61631557
2-(1,3,4-Thiadiazol-2-ylsulfanyl)propan-1-amine
CID 61691172
2-(1,3,4-Thiadiazol-2-ylsulfanyl)butan-1-amine
CID 61698225
N-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine
CID 62577887

Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-amine?
The IUPAC name of 3-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-amine (CID 43530640) is 3-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-amine.
What is the SMILES notation for 3-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-amine?
The canonical SMILES for 3-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-amine is CCC(CCN)Sc1nncs1.
What is the InChIKey of 3-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-amine?
The InChIKey is QZRMNQVFUQILRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S2/c1-2-6(3-4-8)12-7-10-9-5-11-7/h5-6H,2-4,8H2,1H3.
What are the key properties of 3-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-amine?
3-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-amine has a molecular weight of 203.34 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-amine is sourced from PubChem (CID 43530640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).