[4-ethyl-2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-5-yl]methanamine

C14H18N2O2S2 — CID 82429194

IUPAC[4-ethyl-2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-5-yl]methanamine
SMILESCCc1nc(CS(=O)(=O)c2ccc(C)cc2)sc1CN
InChIInChI=1S/C14H18N2O2S2/c1-3-12-13(8-15)19-14(16-12)9-20(17,18)11-6-4-10(2)5-7-11/h4-7H,3,8-9,15H2,1-2H3
InChIKeyGHDOWPIQOWFBSE-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.45
Rot. Bonds5

About [4-ethyl-2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-5-yl]methanamine

[4-ethyl-2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-5-yl]methanamine (PubChem CID 82429194) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is [4-ethyl-2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-5-yl]methanamine
PubChem CID82429194
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name[4-ethyl-2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-5-yl]methanamine
SMILESCCc1nc(CS(=O)(=O)c2ccc(C)cc2)sc1CN
InChIInChI=1S/C14H18N2O2S2/c1-3-12-13(8-15)19-14(16-12)9-20(17,18)11-6-4-10(2)5-7-11/h4-7H,3,8-9,15H2,1-2H3
InChIKeyGHDOWPIQOWFBSE-UHFFFAOYSA-N
XLogP2.45
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(benzenesulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 82434343
5-fluoro-2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole
CID 161418433
[4-ethyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82428463
[4-ethyl-2-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine
CID 82429739
2-methyl-4-[(4-methylphenyl)sulfonylmethyl]-5-nitro-1,3-thiazole
CID 102137915
ethane;1-ethylsulfonyl-4-methylbenzene
CID 142583091
2-[2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-5-yl]acetonitrile
CID 82423229
3-[(4-methylphenyl)sulfonylmethyl]pyridine
CID 14062684
[2-[(3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 82428640
1-ethyl-3-[[4-(4-methylphenyl)phenyl]sulfonylmethyl]benzene
CID 157421364
2-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 106019045
[2-[(2-chlorophenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 82429066

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-ethyl-2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-5-yl]methanamine (CID 82429194) is [4-ethyl-2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-ethyl-2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-ethyl-2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-5-yl]methanamine is CCc1nc(CS(=O)(=O)c2ccc(C)cc2)sc1CN.
What is the InChIKey of [4-ethyl-2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is GHDOWPIQOWFBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-3-12-13(8-15)19-14(16-12)9-20(17,18)11-6-4-10(2)5-7-11/h4-7H,3,8-9,15H2,1-2H3.
What are the key properties of [4-ethyl-2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-5-yl]methanamine?
[4-ethyl-2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 310.44 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82429194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).