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

C10H11ClN2OS2 — CID 130344979

IUPAC[5-(benzenesulfinyl)-1,3-thiazol-2-yl]methanamine;hydrochloride
SMILESCl.NCc1ncc(S(=O)c2ccccc2)s1
InChIInChI=1S/C10H10N2OS2.ClH/c11-6-9-12-7-10(14-9)15(13)8-4-2-1-3-5-8;/h1-5,7H,6,11H2;1H
InChIKeyDCPVIGCHHARBBZ-UHFFFAOYSA-N
MW274.80 g/mol
LogP2.19
Rot. Bonds3

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

[5-(benzenesulfinyl)-1,3-thiazol-2-yl]methanamine;hydrochloride (PubChem CID 130344979) has the molecular formula C10H11ClN2OS2 and a molecular weight of 274.80 g/mol. Its IUPAC name is [5-(benzenesulfinyl)-1,3-thiazol-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[5-(benzenesulfinyl)-1,3-thiazol-2-yl]methanamine;hydrochloride
PubChem CID130344979
Molecular FormulaC10H11ClN2OS2
Molecular Weight274.80 g/mol
Exact Mass274.00
IUPAC Name[5-(benzenesulfinyl)-1,3-thiazol-2-yl]methanamine;hydrochloride
SMILESCl.NCc1ncc(S(=O)c2ccccc2)s1
InChIInChI=1S/C10H10N2OS2.ClH/c11-6-9-12-7-10(14-9)15(13)8-4-2-1-3-5-8;/h1-5,7H,6,11H2;1H
InChIKeyDCPVIGCHHARBBZ-UHFFFAOYSA-N
XLogP2.19
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(Benzenesulfonyl)-1,3-thiazol-2-yl]methanamine
CID 130345003
2-(Phenylsulfonyl)-1,3-thiazole
CID 370023
[5-(3-Methylsulfonylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
CID 155532402
[5-(3-Ethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride
CID 130344865
US10807974, Example 107
CID 130344866
US10807974, Example 95
CID 130344980
[5-(Benzenesulfonyl)-1,3-thiazol-2-yl]methanamine;hydrochloride
CID 130345002
[5-(2-Ethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride
CID 130345155
US10807974, Example 104
CID 130345156
[5-(3,5-Diethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride
CID 130345243
[5-(3-Phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride
CID 138618971
N-allyl-4-(benzenesulfonyl)thiazol-5-amine
CID 53322801

Frequently Asked Questions

What is the IUPAC name of [5-(benzenesulfinyl)-1,3-thiazol-2-yl]methanamine;hydrochloride?
The IUPAC name of [5-(benzenesulfinyl)-1,3-thiazol-2-yl]methanamine;hydrochloride (CID 130344979) is [5-(benzenesulfinyl)-1,3-thiazol-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [5-(benzenesulfinyl)-1,3-thiazol-2-yl]methanamine;hydrochloride?
The canonical SMILES for [5-(benzenesulfinyl)-1,3-thiazol-2-yl]methanamine;hydrochloride is Cl.NCc1ncc(S(=O)c2ccccc2)s1.
What is the InChIKey of [5-(benzenesulfinyl)-1,3-thiazol-2-yl]methanamine;hydrochloride?
The InChIKey is DCPVIGCHHARBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS2.ClH/c11-6-9-12-7-10(14-9)15(13)8-4-2-1-3-5-8;/h1-5,7H,6,11H2;1H.
What are the key properties of [5-(benzenesulfinyl)-1,3-thiazol-2-yl]methanamine;hydrochloride?
[5-(benzenesulfinyl)-1,3-thiazol-2-yl]methanamine;hydrochloride has a molecular weight of 274.80 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(benzenesulfinyl)-1,3-thiazol-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 130344979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).