1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine

C14H17ClN2OS — CID 65022560

IUPAC1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1cnc(-c2ccc(OC)c(Cl)c2)s1
InChIInChI=1S/C14H17ClN2OS/c1-4-16-9(2)13-8-17-14(19-13)10-5-6-12(18-3)11(15)7-10/h5-9,16H,4H2,1-3H3
InChIKeyLTBZDURJYBMZLC-UHFFFAOYSA-N
MW296.82 g/mol
LogP4.14
Rot. Bonds5

About 1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine

1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine (PubChem CID 65022560) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is 1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine
PubChem CID65022560
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC Name1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1cnc(-c2ccc(OC)c(Cl)c2)s1
InChIInChI=1S/C14H17ClN2OS/c1-4-16-9(2)13-8-17-14(19-13)10-5-6-12(18-3)11(15)7-10/h5-9,16H,4H2,1-3H3
InChIKeyLTBZDURJYBMZLC-UHFFFAOYSA-N
XLogP4.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine?
The IUPAC name of 1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine (CID 65022560) is 1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine is CCNC(C)c1cnc(-c2ccc(OC)c(Cl)c2)s1.
What is the InChIKey of 1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine?
The InChIKey is LTBZDURJYBMZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c1-4-16-9(2)13-8-17-14(19-13)10-5-6-12(18-3)11(15)7-10/h5-9,16H,4H2,1-3H3.
What are the key properties of 1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine?
1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine has a molecular weight of 296.82 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine is sourced from PubChem (CID 65022560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).