5-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-4-amine

C11H11ClN2OS — CID 82482114

IUPAC5-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-4-amine
SMILESCOc1ccc(-c2sc(C)nc2N)cc1Cl
InChIInChI=1S/C11H11ClN2OS/c1-6-14-11(13)10(16-6)7-3-4-9(15-2)8(12)5-7/h3-5H,13H2,1-2H3
InChIKeyHWUXZDGEZBMRBQ-UHFFFAOYSA-N
MW254.74 g/mol
LogP3.36
Rot. Bonds2

About 5-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-4-amine

5-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-4-amine (PubChem CID 82482114) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 5-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-4-amine.

Molecular Properties

Compound Name5-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-4-amine
PubChem CID82482114
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name5-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-4-amine
SMILESCOc1ccc(-c2sc(C)nc2N)cc1Cl
InChIInChI=1S/C11H11ClN2OS/c1-6-14-11(13)10(16-6)7-3-4-9(15-2)8(12)5-7/h3-5H,13H2,1-2H3
InChIKeyHWUXZDGEZBMRBQ-UHFFFAOYSA-N
XLogP3.36
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine
CID 167489856
5-(2,4-dichlorophenyl)-2-methyl-1,3-thiazol-4-amine
CID 82483791
4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 94703596
4-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 141384892
5-(3-chloro-4-methoxyphenyl)-2-methylaniline
CID 54912520
4-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-3-amine
CID 82476965
[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol
CID 116867349
2-chloro-5-(3-chloro-4-methoxyphenyl)aniline
CID 62908744
5-(3-chloro-4-methoxyphenyl)-1,2-oxazol-3-amine
CID 82114977
1-[2-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 65022179
2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene
CID 58270167
[6-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-yl]methanamine
CID 116857617

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-4-amine?
The IUPAC name of 5-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-4-amine (CID 82482114) is 5-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-4-amine.
What is the SMILES notation for 5-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-4-amine?
The canonical SMILES for 5-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-4-amine is COc1ccc(-c2sc(C)nc2N)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-4-amine?
The InChIKey is HWUXZDGEZBMRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-6-14-11(13)10(16-6)7-3-4-9(15-2)8(12)5-7/h3-5H,13H2,1-2H3.
What are the key properties of 5-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-4-amine?
5-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-4-amine has a molecular weight of 254.74 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-4-amine is sourced from PubChem (CID 82482114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).