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

C10H11ClN2O2S2 — CID 130345002

IUPAC[5-(benzenesulfonyl)-1,3-thiazol-2-yl]methanamine;hydrochloride
SMILESCl.NCc1ncc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C10H10N2O2S2.ClH/c11-6-9-12-7-10(15-9)16(13,14)8-4-2-1-3-5-8;/h1-5,7H,6,11H2;1H
InChIKeyLDTBGHMSKIBXGV-UHFFFAOYSA-N
MW290.80 g/mol
LogP1.86
Rot. Bonds3

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

[5-(benzenesulfonyl)-1,3-thiazol-2-yl]methanamine;hydrochloride (PubChem CID 130345002) has the molecular formula C10H11ClN2O2S2 and a molecular weight of 290.80 g/mol. Its IUPAC name is [5-(benzenesulfonyl)-1,3-thiazol-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[5-(benzenesulfonyl)-1,3-thiazol-2-yl]methanamine;hydrochloride
PubChem CID130345002
Molecular FormulaC10H11ClN2O2S2
Molecular Weight290.80 g/mol
Exact Mass290.00
IUPAC Name[5-(benzenesulfonyl)-1,3-thiazol-2-yl]methanamine;hydrochloride
SMILESCl.NCc1ncc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C10H10N2O2S2.ClH/c11-6-9-12-7-10(15-9)16(13,14)8-4-2-1-3-5-8;/h1-5,7H,6,11H2;1H
InChIKeyLDTBGHMSKIBXGV-UHFFFAOYSA-N
XLogP1.86
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 51.86
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;hydrochloride?
The IUPAC name of [5-(benzenesulfonyl)-1,3-thiazol-2-yl]methanamine;hydrochloride (CID 130345002) is [5-(benzenesulfonyl)-1,3-thiazol-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [5-(benzenesulfonyl)-1,3-thiazol-2-yl]methanamine;hydrochloride?
The canonical SMILES for [5-(benzenesulfonyl)-1,3-thiazol-2-yl]methanamine;hydrochloride is Cl.NCc1ncc(S(=O)(=O)c2ccccc2)s1.
What is the InChIKey of [5-(benzenesulfonyl)-1,3-thiazol-2-yl]methanamine;hydrochloride?
The InChIKey is LDTBGHMSKIBXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S2.ClH/c11-6-9-12-7-10(15-9)16(13,14)8-4-2-1-3-5-8;/h1-5,7H,6,11H2;1H.
What are the key properties of [5-(benzenesulfonyl)-1,3-thiazol-2-yl]methanamine;hydrochloride?
[5-(benzenesulfonyl)-1,3-thiazol-2-yl]methanamine;hydrochloride has a molecular weight of 290.80 g/mol, XLogP of 1.86, 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;hydrochloride is sourced from PubChem (CID 130345002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).