1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine

C14H17ClN2OS — CID 82541449

IUPAC1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCOc1cc(Cl)c(C)cc1-c1nc(C)sc1C(C)N
InChIInChI=1S/C14H17ClN2OS/c1-7-5-10(12(18-4)6-11(7)15)13-14(8(2)16)19-9(3)17-13/h5-6,8H,16H2,1-4H3
InChIKeyXJYKYQCUBZDNJB-UHFFFAOYSA-N
MW296.82 g/mol
LogP4.11
Rot. Bonds3

About 1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine

1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine (PubChem CID 82541449) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is 1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine
PubChem CID82541449
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC Name1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCOc1cc(Cl)c(C)cc1-c1nc(C)sc1C(C)N
InChIInChI=1S/C14H17ClN2OS/c1-7-5-10(12(18-4)6-11(7)15)13-14(8(2)16)19-9(3)17-13/h5-6,8H,16H2,1-4H3
InChIKeyXJYKYQCUBZDNJB-UHFFFAOYSA-N
XLogP4.11
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanamine
CID 82542174
1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)-1,3-thiazol-5-yl]ethanone
CID 110447743
1-[4-(3,5-difluorophenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine
CID 82541967
4-(5-chloro-2-methoxy-4-methylphenyl)-2,6-dimethylpyrimidin-5-amine
CID 98021439
4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-amine
CID 82480345
1-[2-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 65022179
4-(4-chloro-2-methoxy-5-methylphenyl)aniline
CID 82039615
1-chloro-5-methoxy-2,4-dimethylbenzene
CID 18683267
1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-1-amine
CID 82541451
2-bromo-4-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,3-thiazole
CID 82135463
4-[5-(1-aminoethyl)-2-methyl-1,3-thiazol-4-yl]phenol
CID 82542124
amino-(5-chloro-2-methoxy-4-methylphenyl)methanethiol
CID 116939471

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine (CID 82541449) is 1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine is COc1cc(Cl)c(C)cc1-c1nc(C)sc1C(C)N.
What is the InChIKey of 1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is XJYKYQCUBZDNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c1-7-5-10(12(18-4)6-11(7)15)13-14(8(2)16)19-9(3)17-13/h5-6,8H,16H2,1-4H3.
What are the key properties of 1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine?
1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 296.82 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 82541449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).