N-prop-1-en-2-ylthiatriazol-5-amine

C4H6N4S — CID 163890294

IUPACN-prop-1-en-2-ylthiatriazol-5-amine
SMILESC=C(C)Nc1nnns1
InChIInChI=1S/C4H6N4S/c1-3(2)5-4-6-7-8-9-4/h1H2,2H3,(H,5,6,8)
InChIKeyQAYTWGUNCIVRMP-UHFFFAOYSA-N
MW142.19 g/mol
LogP0.88
Rot. Bonds2

About N-prop-1-en-2-ylthiatriazol-5-amine

N-prop-1-en-2-ylthiatriazol-5-amine (PubChem CID 163890294) has the molecular formula C4H6N4S and a molecular weight of 142.19 g/mol. Its IUPAC name is N-prop-1-en-2-ylthiatriazol-5-amine.

Molecular Properties

Compound NameN-prop-1-en-2-ylthiatriazol-5-amine
PubChem CID163890294
Molecular FormulaC4H6N4S
Molecular Weight142.19 g/mol
Exact Mass142.03
IUPAC NameN-prop-1-en-2-ylthiatriazol-5-amine
SMILESC=C(C)Nc1nnns1
InChIInChI=1S/C4H6N4S/c1-3(2)5-4-6-7-8-9-4/h1H2,2H3,(H,5,6,8)
InChIKeyQAYTWGUNCIVRMP-UHFFFAOYSA-N
XLogP0.88
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.19
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-prop-1-en-2-ylthiatriazol-5-amine?
The IUPAC name of N-prop-1-en-2-ylthiatriazol-5-amine (CID 163890294) is N-prop-1-en-2-ylthiatriazol-5-amine.
What is the SMILES notation for N-prop-1-en-2-ylthiatriazol-5-amine?
The canonical SMILES for N-prop-1-en-2-ylthiatriazol-5-amine is C=C(C)Nc1nnns1.
What is the InChIKey of N-prop-1-en-2-ylthiatriazol-5-amine?
The InChIKey is QAYTWGUNCIVRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4S/c1-3(2)5-4-6-7-8-9-4/h1H2,2H3,(H,5,6,8).
What are the key properties of N-prop-1-en-2-ylthiatriazol-5-amine?
N-prop-1-en-2-ylthiatriazol-5-amine has a molecular weight of 142.19 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-1-en-2-ylthiatriazol-5-amine is sourced from PubChem (CID 163890294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).