N-prop-2-enyl-1,2-thiazol-3-amine

C6H8N2S — CID 162624631

IUPACN-prop-2-enyl-1,2-thiazol-3-amine
SMILESC=CCNc1ccsn1
InChIInChI=1S/C6H8N2S/c1-2-4-7-6-3-5-9-8-6/h2-3,5H,1,4H2,(H,7,8)
InChIKeyJLVBDDSFKQYECW-UHFFFAOYSA-N
MW140.21 g/mol
LogP1.74
Rot. Bonds3

About N-prop-2-enyl-1,2-thiazol-3-amine

N-prop-2-enyl-1,2-thiazol-3-amine (PubChem CID 162624631) has the molecular formula C6H8N2S and a molecular weight of 140.21 g/mol. Its IUPAC name is N-prop-2-enyl-1,2-thiazol-3-amine.

Molecular Properties

Compound NameN-prop-2-enyl-1,2-thiazol-3-amine
PubChem CID162624631
Molecular FormulaC6H8N2S
Molecular Weight140.21 g/mol
Exact Mass140.04
IUPAC NameN-prop-2-enyl-1,2-thiazol-3-amine
SMILESC=CCNc1ccsn1
InChIInChI=1S/C6H8N2S/c1-2-4-7-6-3-5-9-8-6/h2-3,5H,1,4H2,(H,7,8)
InChIKeyJLVBDDSFKQYECW-UHFFFAOYSA-N
XLogP1.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-1,2-thiazol-3-amine?
The IUPAC name of N-prop-2-enyl-1,2-thiazol-3-amine (CID 162624631) is N-prop-2-enyl-1,2-thiazol-3-amine.
What is the SMILES notation for N-prop-2-enyl-1,2-thiazol-3-amine?
The canonical SMILES for N-prop-2-enyl-1,2-thiazol-3-amine is C=CCNc1ccsn1.
What is the InChIKey of N-prop-2-enyl-1,2-thiazol-3-amine?
The InChIKey is JLVBDDSFKQYECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S/c1-2-4-7-6-3-5-9-8-6/h2-3,5H,1,4H2,(H,7,8).
What are the key properties of N-prop-2-enyl-1,2-thiazol-3-amine?
N-prop-2-enyl-1,2-thiazol-3-amine has a molecular weight of 140.21 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-1,2-thiazol-3-amine is sourced from PubChem (CID 162624631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).