[2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine

C18H18N2S2 — CID 20983842

IUPAC[2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
SMILESCCSc1ccc(-c2csc(-c3ccccc3CN)n2)cc1
InChIInChI=1S/C18H18N2S2/c1-2-21-15-9-7-13(8-10-15)17-12-22-18(20-17)16-6-4-3-5-14(16)11-19/h3-10,12H,2,11,19H2,1H3
InChIKeyLQRPTSYEAFGLSE-UHFFFAOYSA-N
MW326.49 g/mol
LogP5.05
Rot. Bonds5

About [2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine

[2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine (PubChem CID 20983842) has the molecular formula C18H18N2S2 and a molecular weight of 326.49 g/mol. Its IUPAC name is [2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
PubChem CID20983842
Molecular FormulaC18H18N2S2
Molecular Weight326.49 g/mol
Exact Mass326.09
IUPAC Name[2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
SMILESCCSc1ccc(-c2csc(-c3ccccc3CN)n2)cc1
InChIInChI=1S/C18H18N2S2/c1-2-21-15-9-7-13(8-10-15)17-12-22-18(20-17)16-6-4-3-5-14(16)11-19/h3-10,12H,2,11,19H2,1H3
InChIKeyLQRPTSYEAFGLSE-UHFFFAOYSA-N
XLogP5.05
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.49
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-phenyl-1,3-thiazol-2-yl)phenyl]methanamine;dihydrochloride
CID 20983786
[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983796
4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-amine
CID 3762953
2-(bromomethyl)-4-(4-ethylsulfanylphenyl)-1,3-thiazole
CID 116970338
2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4264597
2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]aniline
CID 60707173
2-(4-ethylsulfanylphenyl)aniline
CID 68786818
4-(4-ethylsulfanylphenyl)-2-(methoxymethyl)-1,3-thiazole
CID 116969974
2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116867767
2-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]acetonitrile
CID 106849859
[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]hydrazine
CID 116892116
2-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 98022615

Frequently Asked Questions

What is the IUPAC name of [2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine?
The IUPAC name of [2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine (CID 20983842) is [2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine.
What is the SMILES notation for [2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine?
The canonical SMILES for [2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine is CCSc1ccc(-c2csc(-c3ccccc3CN)n2)cc1.
What is the InChIKey of [2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine?
The InChIKey is LQRPTSYEAFGLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S2/c1-2-21-15-9-7-13(8-10-15)17-12-22-18(20-17)16-6-4-3-5-14(16)11-19/h3-10,12H,2,11,19H2,1H3.
What are the key properties of [2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine?
[2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine has a molecular weight of 326.49 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine is sourced from PubChem (CID 20983842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).