1-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine

C14H16Cl2N2OS — CID 3261335

IUPAC1-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCCOc1c(Cl)cc(Cl)cc1-c1csc(C(C)NC)n1
InChIInChI=1S/C14H16Cl2N2OS/c1-4-19-13-10(5-9(15)6-11(13)16)12-7-20-14(18-12)8(2)17-3/h5-8,17H,4H2,1-3H3
InChIKeyJKYWDYOXZYCPFQ-UHFFFAOYSA-N
MW331.27 g/mol
LogP4.80
Rot. Bonds5

About 1-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine

1-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine (PubChem CID 3261335) has the molecular formula C14H16Cl2N2OS and a molecular weight of 331.27 g/mol. Its IUPAC name is 1-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
PubChem CID3261335
Molecular FormulaC14H16Cl2N2OS
Molecular Weight331.27 g/mol
Exact Mass330.04
IUPAC Name1-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCCOc1c(Cl)cc(Cl)cc1-c1csc(C(C)NC)n1
InChIInChI=1S/C14H16Cl2N2OS/c1-4-19-13-10(5-9(15)6-11(13)16)12-7-20-14(18-12)8(2)17-3/h5-8,17H,4H2,1-3H3
InChIKeyJKYWDYOXZYCPFQ-UHFFFAOYSA-N
XLogP4.80
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.27
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(5-chloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 5239205
1-[4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3647690
2-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3910621
1-[4-(3,5-ditert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4569861
1-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4308987
1-[4-(4-bromo-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3906583
1-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3404523
1-[4-(4-ethoxy-3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3616998
N-methyl-1-[4-(2-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 4984856
1-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3890343
1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3644420
1-[4-(2-bromo-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 5137111

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
The IUPAC name of 1-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine (CID 3261335) is 1-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine is CCOc1c(Cl)cc(Cl)cc1-c1csc(C(C)NC)n1.
What is the InChIKey of 1-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
The InChIKey is JKYWDYOXZYCPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2OS/c1-4-19-13-10(5-9(15)6-11(13)16)12-7-20-14(18-12)8(2)17-3/h5-8,17H,4H2,1-3H3.
What are the key properties of 1-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
1-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine has a molecular weight of 331.27 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 3261335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).