1-(thiadiazol-5-yl)but-3-yn-1-amine

C6H7N3S — CID 105077522

IUPAC1-(thiadiazol-5-yl)but-3-yn-1-amine
SMILESC#CCC(N)c1cnns1
InChIInChI=1S/C6H7N3S/c1-2-3-5(7)6-4-8-9-10-6/h1,4-5H,3,7H2
InChIKeyDUGCMTPVYVRVOU-UHFFFAOYSA-N
MW153.21 g/mol
LogP0.56
Rot. Bonds2

About 1-(thiadiazol-5-yl)but-3-yn-1-amine

1-(thiadiazol-5-yl)but-3-yn-1-amine (PubChem CID 105077522) has the molecular formula C6H7N3S and a molecular weight of 153.21 g/mol. Its IUPAC name is 1-(thiadiazol-5-yl)but-3-yn-1-amine.

Molecular Properties

Compound Name1-(thiadiazol-5-yl)but-3-yn-1-amine
PubChem CID105077522
Molecular FormulaC6H7N3S
Molecular Weight153.21 g/mol
Exact Mass153.04
IUPAC Name1-(thiadiazol-5-yl)but-3-yn-1-amine
SMILESC#CCC(N)c1cnns1
InChIInChI=1S/C6H7N3S/c1-2-3-5(7)6-4-8-9-10-6/h1,4-5H,3,7H2
InChIKeyDUGCMTPVYVRVOU-UHFFFAOYSA-N
XLogP0.56
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(thiadiazol-5-yl)but-3-yn-1-amine?
The IUPAC name of 1-(thiadiazol-5-yl)but-3-yn-1-amine (CID 105077522) is 1-(thiadiazol-5-yl)but-3-yn-1-amine.
What is the SMILES notation for 1-(thiadiazol-5-yl)but-3-yn-1-amine?
The canonical SMILES for 1-(thiadiazol-5-yl)but-3-yn-1-amine is C#CCC(N)c1cnns1.
What is the InChIKey of 1-(thiadiazol-5-yl)but-3-yn-1-amine?
The InChIKey is DUGCMTPVYVRVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3S/c1-2-3-5(7)6-4-8-9-10-6/h1,4-5H,3,7H2.
What are the key properties of 1-(thiadiazol-5-yl)but-3-yn-1-amine?
1-(thiadiazol-5-yl)but-3-yn-1-amine has a molecular weight of 153.21 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiadiazol-5-yl)but-3-yn-1-amine is sourced from PubChem (CID 105077522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).