4-(benzenesulfonyl)-N-prop-2-enyl-1,3-thiazol-5-amine

C12H12N2O2S2 — CID 53322801

IUPAC4-(benzenesulfonyl)-N-prop-2-enyl-1,3-thiazol-5-amine
SMILESC=CCNc1scnc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H12N2O2S2/c1-2-8-13-11-12(14-9-17-11)18(15,16)10-6-4-3-5-7-10/h2-7,9,13H,1,8H2
InChIKeyQLQXZGSSALZPDM-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.57
Rot. Bonds5

About 4-(benzenesulfonyl)-N-prop-2-enyl-1,3-thiazol-5-amine

4-(benzenesulfonyl)-N-prop-2-enyl-1,3-thiazol-5-amine (PubChem CID 53322801) has the molecular formula C12H12N2O2S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-prop-2-enyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-prop-2-enyl-1,3-thiazol-5-amine
PubChem CID53322801
Molecular FormulaC12H12N2O2S2
Molecular Weight280.37 g/mol
Exact Mass280.03
IUPAC Name4-(benzenesulfonyl)-N-prop-2-enyl-1,3-thiazol-5-amine
SMILESC=CCNc1scnc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H12N2O2S2/c1-2-8-13-11-12(14-9-17-11)18(15,16)10-6-4-3-5-7-10/h2-7,9,13H,1,8H2
InChIKeyQLQXZGSSALZPDM-UHFFFAOYSA-N
XLogP2.57
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-(benzenesulfonyl)-N-prop-2-enyl-1,3-thiazol-5-amine?
The IUPAC name of 4-(benzenesulfonyl)-N-prop-2-enyl-1,3-thiazol-5-amine (CID 53322801) is 4-(benzenesulfonyl)-N-prop-2-enyl-1,3-thiazol-5-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-N-prop-2-enyl-1,3-thiazol-5-amine?
The canonical SMILES for 4-(benzenesulfonyl)-N-prop-2-enyl-1,3-thiazol-5-amine is C=CCNc1scnc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-N-prop-2-enyl-1,3-thiazol-5-amine?
The InChIKey is QLQXZGSSALZPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S2/c1-2-8-13-11-12(14-9-17-11)18(15,16)10-6-4-3-5-7-10/h2-7,9,13H,1,8H2.
What are the key properties of 4-(benzenesulfonyl)-N-prop-2-enyl-1,3-thiazol-5-amine?
4-(benzenesulfonyl)-N-prop-2-enyl-1,3-thiazol-5-amine has a molecular weight of 280.37 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-prop-2-enyl-1,3-thiazol-5-amine is sourced from PubChem (CID 53322801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).