[3-[4-(3,5-dichloro-2-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine

C17H14Cl2N2OS — CID 20983767

IUPAC[3-[4-(3,5-dichloro-2-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
SMILESCOc1c(Cl)cc(Cl)cc1-c1csc(-c2cccc(CN)c2)n1
InChIInChI=1S/C17H14Cl2N2OS/c1-22-16-13(6-12(18)7-14(16)19)15-9-23-17(21-15)11-4-2-3-10(5-11)8-20/h2-7,9H,8,20H2,1H3
InChIKeyZOULYBKBMSKJOK-UHFFFAOYSA-N
MW365.29 g/mol
LogP5.25
Rot. Bonds4

About [3-[4-(3,5-dichloro-2-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine

[3-[4-(3,5-dichloro-2-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine (PubChem CID 20983767) has the molecular formula C17H14Cl2N2OS and a molecular weight of 365.29 g/mol. Its IUPAC name is [3-[4-(3,5-dichloro-2-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[4-(3,5-dichloro-2-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
PubChem CID20983767
Molecular FormulaC17H14Cl2N2OS
Molecular Weight365.29 g/mol
Exact Mass364.02
IUPAC Name[3-[4-(3,5-dichloro-2-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
SMILESCOc1c(Cl)cc(Cl)cc1-c1csc(-c2cccc(CN)c2)n1
InChIInChI=1S/C17H14Cl2N2OS/c1-22-16-13(6-12(18)7-14(16)19)15-9-23-17(21-15)11-4-2-3-10(5-11)8-20/h2-7,9H,8,20H2,1H3
InChIKeyZOULYBKBMSKJOK-UHFFFAOYSA-N
XLogP5.25
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.29
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3,5-dichloro-2-methoxyphenyl)phenyl]methanamine
CID 82039672
[3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 63152203
[3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983736
[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983740
[4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 63152339
[3-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 82954381
[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983781
[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152435
4-(2,5-dichlorothiophen-3-yl)-2-(3-methoxyphenyl)-1,3-thiazole
CID 18270223
[3-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 120558532
[3-(4-propyl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 120558535
[3-(2-chlorophenyl)phenyl]methanamine
CID 1392189

Frequently Asked Questions

What is the IUPAC name of [3-[4-(3,5-dichloro-2-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine?
The IUPAC name of [3-[4-(3,5-dichloro-2-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine (CID 20983767) is [3-[4-(3,5-dichloro-2-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine.
What is the SMILES notation for [3-[4-(3,5-dichloro-2-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine?
The canonical SMILES for [3-[4-(3,5-dichloro-2-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine is COc1c(Cl)cc(Cl)cc1-c1csc(-c2cccc(CN)c2)n1.
What is the InChIKey of [3-[4-(3,5-dichloro-2-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine?
The InChIKey is ZOULYBKBMSKJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2OS/c1-22-16-13(6-12(18)7-14(16)19)15-9-23-17(21-15)11-4-2-3-10(5-11)8-20/h2-7,9H,8,20H2,1H3.
What are the key properties of [3-[4-(3,5-dichloro-2-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine?
[3-[4-(3,5-dichloro-2-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine has a molecular weight of 365.29 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(3,5-dichloro-2-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine is sourced from PubChem (CID 20983767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).