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

C11H11ClN2OS — CID 116864439

IUPAC2-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazol-4-amine
SMILESCNc1csc(-c2ccc(OC)cc2Cl)n1
InChIInChI=1S/C11H11ClN2OS/c1-13-10-6-16-11(14-10)8-4-3-7(15-2)5-9(8)12/h3-6,13H,1-2H3
InChIKeyDTIZMVZAXJYLOZ-UHFFFAOYSA-N
MW254.74 g/mol
LogP3.51
Rot. Bonds3

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

2-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazol-4-amine (PubChem CID 116864439) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 2-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazol-4-amine
PubChem CID116864439
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name2-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazol-4-amine
SMILESCNc1csc(-c2ccc(OC)cc2Cl)n1
InChIInChI=1S/C11H11ClN2OS/c1-13-10-6-16-11(14-10)8-4-3-7(15-2)5-9(8)12/h3-6,13H,1-2H3
InChIKeyDTIZMVZAXJYLOZ-UHFFFAOYSA-N
XLogP3.51
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanone
CID 116890216
2-(2-chloro-4-methoxyphenyl)-1,3-thiazole
CID 116868424
[2-(2-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]hydrazine
CID 116887813
2-[4-(2-chloro-4-methoxyphenyl)phenyl]-4-(3,4-dichlorophenyl)-1,3-thiazole
CID 89454743
4-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-oxazol-2-amine
CID 116832520
[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]hydrazine
CID 116892139
6-(2-chloro-4-methoxyphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine
CID 116823608
4-(2-chloro-4-methoxyphenyl)-1,3-thiazole
CID 4998959
1,3,5-trichloro-2-(2-chloro-4-methoxyphenyl)benzene
CID 134628384
1,3-dichloro-2-(2-chloro-4-methoxyphenyl)benzene
CID 119018458
2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-ol
CID 116889764
2-chloro-5-(2-chloro-4-methoxyphenyl)-4-methylpyrimidine
CID 170925653

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazol-4-amine?
The IUPAC name of 2-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazol-4-amine (CID 116864439) is 2-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazol-4-amine.
What is the SMILES notation for 2-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazol-4-amine?
The canonical SMILES for 2-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazol-4-amine is CNc1csc(-c2ccc(OC)cc2Cl)n1.
What is the InChIKey of 2-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazol-4-amine?
The InChIKey is DTIZMVZAXJYLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-13-10-6-16-11(14-10)8-4-3-7(15-2)5-9(8)12/h3-6,13H,1-2H3.
What are the key properties of 2-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazol-4-amine?
2-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazol-4-amine has a molecular weight of 254.74 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazol-4-amine is sourced from PubChem (CID 116864439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).