2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine

C19H20N2O2S — CID 19748887

IUPAC2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine
SMILESCOc1ccc(-c2nc(CCN)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H20N2O2S/c1-22-15-7-3-13(4-8-15)18-19(24-17(21-18)11-12-20)14-5-9-16(23-2)10-6-14/h3-10H,11-12,20H2,1-2H3
InChIKeyKLRSOWXPSUMRID-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.00
Rot. Bonds6

About 2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine

2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 19748887) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine
PubChem CID19748887
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine
SMILESCOc1ccc(-c2nc(CCN)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H20N2O2S/c1-22-15-7-3-13(4-8-15)18-19(24-17(21-18)11-12-20)14-5-9-16(23-2)10-6-14/h3-10H,11-12,20H2,1-2H3
InChIKeyKLRSOWXPSUMRID-UHFFFAOYSA-N
XLogP4.00
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]guanidine;hydrochloride
CID 19757960
2-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)ethanamine
CID 79375047
2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol
CID 39351949
2-(6-methoxy-1,3-benzothiazol-2-yl)ethanamine
CID 39106649
4-[2-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]pyridin-2-amine
CID 11493332
2-[5-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-yl]ethanamine
CID 39356185
4,5-bis(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole
CID 13015383
4,5-bis(4-methoxyphenyl)-2-methylsulfanyl-1,3-thiazole
CID 13209670
2-[4-(4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanamine
CID 93216544
4-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 88568617
2-(aminomethyl)-5-(4-methoxyphenyl)-1,3-thiazole-4-carbonitrile
CID 82479008
2-[5-(2-fluorophenyl)-4-phenyl-1,3-thiazol-2-yl]ethanamine
CID 82106517

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine (CID 19748887) is 2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine is COc1ccc(-c2nc(CCN)sc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is KLRSOWXPSUMRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-22-15-7-3-13(4-8-15)18-19(24-17(21-18)11-12-20)14-5-9-16(23-2)10-6-14/h3-10H,11-12,20H2,1-2H3.
What are the key properties of 2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine?
2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 340.45 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 19748887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).