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

C12H13ClN2OS — CID 5162652

IUPAC1-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine
SMILESCOc1ccc(-c2csc(C(C)N)n2)cc1Cl
InChIInChI=1S/C12H13ClN2OS/c1-7(14)12-15-10(6-17-12)8-3-4-11(16-2)9(13)5-8/h3-7H,14H2,1-2H3
InChIKeySUDGITGHUIFNRB-UHFFFAOYSA-N
MW268.77 g/mol
LogP3.49
Rot. Bonds3

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

1-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 5162652) has the molecular formula C12H13ClN2OS and a molecular weight of 268.77 g/mol. Its IUPAC name is 1-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine
PubChem CID5162652
Molecular FormulaC12H13ClN2OS
Molecular Weight268.77 g/mol
Exact Mass268.04
IUPAC Name1-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine
SMILESCOc1ccc(-c2csc(C(C)N)n2)cc1Cl
InChIInChI=1S/C12H13ClN2OS/c1-7(14)12-15-10(6-17-12)8-3-4-11(16-2)9(13)5-8/h3-7H,14H2,1-2H3
InChIKeySUDGITGHUIFNRB-UHFFFAOYSA-N
XLogP3.49
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 3299476
(2S)-2-amino-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide;hydrochloride
CID 119272131
4-(3-fluoro-4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole
CID 59333191
1-[4-(3-tert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3892662
1-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride
CID 120580478
4-(3-chloro-4-methoxyphenyl)-N-cyclopropyl-1,3-thiazol-2-amine
CID 8750909
1-[2-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 65022179
1-[4-(4-ethoxy-3-nitrophenyl)-1,3-thiazol-2-yl]ethanamine
CID 4558716
1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]ethanamine
CID 5160609
4-(3-chloro-4-methoxyphenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 166194851
1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4613320
5-(1-aminoethyl)-3-(3-chloro-4-methoxyphenyl)-1H-pyridazin-6-one
CID 82446359

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 1-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine (CID 5162652) is 1-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 1-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine is COc1ccc(-c2csc(C(C)N)n2)cc1Cl.
What is the InChIKey of 1-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is SUDGITGHUIFNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2OS/c1-7(14)12-15-10(6-17-12)8-3-4-11(16-2)9(13)5-8/h3-7H,14H2,1-2H3.
What are the key properties of 1-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine?
1-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 268.77 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 5162652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).