[5-(benzenesulfonyl)-1,3-thiazol-2-yl]methanamine

C10H10N2O2S2 — CID 130345003

IUPAC[5-(benzenesulfonyl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1ncc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C10H10N2O2S2/c11-6-9-12-7-10(15-9)16(13,14)8-4-2-1-3-5-8/h1-5,7H,6,11H2
InChIKeyMOUTWMBJLUKFLK-UHFFFAOYSA-N
MW254.34 g/mol
LogP1.43
Rot. Bonds3

About [5-(benzenesulfonyl)-1,3-thiazol-2-yl]methanamine

[5-(benzenesulfonyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 130345003) has the molecular formula C10H10N2O2S2 and a molecular weight of 254.34 g/mol. Its IUPAC name is [5-(benzenesulfonyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(benzenesulfonyl)-1,3-thiazol-2-yl]methanamine
PubChem CID130345003
Molecular FormulaC10H10N2O2S2
Molecular Weight254.34 g/mol
Exact Mass254.02
IUPAC Name[5-(benzenesulfonyl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1ncc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C10H10N2O2S2/c11-6-9-12-7-10(15-9)16(13,14)8-4-2-1-3-5-8/h1-5,7H,6,11H2
InChIKeyMOUTWMBJLUKFLK-UHFFFAOYSA-N
XLogP1.43
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(benzenesulfonyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-(benzenesulfonyl)-1,3-thiazol-2-yl]methanamine (CID 130345003) is [5-(benzenesulfonyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-(benzenesulfonyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-(benzenesulfonyl)-1,3-thiazol-2-yl]methanamine is NCc1ncc(S(=O)(=O)c2ccccc2)s1.
What is the InChIKey of [5-(benzenesulfonyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is MOUTWMBJLUKFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S2/c11-6-9-12-7-10(15-9)16(13,14)8-4-2-1-3-5-8/h1-5,7H,6,11H2.
What are the key properties of [5-(benzenesulfonyl)-1,3-thiazol-2-yl]methanamine?
[5-(benzenesulfonyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 254.34 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(benzenesulfonyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 130345003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).