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

C12H14N2O2S2 — CID 130344866

IUPAC[5-(3-ethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
SMILESCCc1cccc(S(=O)(=O)c2cnc(CN)s2)c1
InChIInChI=1S/C12H14N2O2S2/c1-2-9-4-3-5-10(6-9)18(15,16)12-8-14-11(7-13)17-12/h3-6,8H,2,7,13H2,1H3
InChIKeyXQRCXXOJTQWESS-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.00
Rot. Bonds4

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

[5-(3-ethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine (PubChem CID 130344866) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is [5-(3-ethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-ethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
PubChem CID130344866
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC Name[5-(3-ethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
SMILESCCc1cccc(S(=O)(=O)c2cnc(CN)s2)c1
InChIInChI=1S/C12H14N2O2S2/c1-2-9-4-3-5-10(6-9)18(15,16)12-8-14-11(7-13)17-12/h3-6,8H,2,7,13H2,1H3
InChIKeyXQRCXXOJTQWESS-UHFFFAOYSA-N
XLogP2.00
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[3-Methylsulfonyl-5-[4-(trifluoromethyl)phenyl]phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine
CID 130344969
[5-[3-(4-Methylphenyl)-5-methylsulfonylphenyl]sulfonyl-1,3-thiazol-2-yl]methanamine
CID 130344977
[5-(Benzenesulfonyl)-1,3-thiazol-2-yl]methanamine
CID 130345003
[5-(3-Ethyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
CID 130345060
(5-Naphthalen-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine;hydrochloride
CID 130345096
(5-Naphthalen-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine
CID 130345097
[5-[3-(4-Methylphenyl)-4-methylsulfonylphenyl]sulfonyl-1,3-thiazol-2-yl]methanamine
CID 130345145
[5-[3-(4-Fluorophenyl)-5-methylsulfonylphenyl]sulfonyl-1,3-thiazol-2-yl]methanamine
CID 130345152
[5-(3-Methylsulfonyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
CID 130345178
[5-(3-Phenyl-5-propan-2-ylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
CID 130345306
[5-(3-Tert-butyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
CID 130345397
[5-(3-Phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
CID 130358066

Frequently Asked Questions

What is the IUPAC name of [5-(3-ethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-(3-ethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine (CID 130344866) is [5-(3-ethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-(3-ethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-(3-ethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine is CCc1cccc(S(=O)(=O)c2cnc(CN)s2)c1.
What is the InChIKey of [5-(3-ethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine?
The InChIKey is XQRCXXOJTQWESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S2/c1-2-9-4-3-5-10(6-9)18(15,16)12-8-14-11(7-13)17-12/h3-6,8H,2,7,13H2,1H3.
What are the key properties of [5-(3-ethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine?
[5-(3-ethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine has a molecular weight of 282.39 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-ethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 130344866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).