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

C16H14N2OS — CID 43667839

IUPAC4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]aniline
SMILESCOc1ccccc1-c1csc(-c2ccc(N)cc2)n1
InChIInChI=1S/C16H14N2OS/c1-19-15-5-3-2-4-13(15)14-10-20-16(18-14)11-6-8-12(17)9-7-11/h2-10H,17H2,1H3
InChIKeyJVMOOZAQNNMAMQ-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.07
Rot. Bonds3

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

4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]aniline (PubChem CID 43667839) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]aniline.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]aniline
PubChem CID43667839
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]aniline
SMILESCOc1ccccc1-c1csc(-c2ccc(N)cc2)n1
InChIInChI=1S/C16H14N2OS/c1-19-15-5-3-2-4-13(15)14-10-20-16(18-14)11-6-8-12(17)9-7-11/h2-10H,17H2,1H3
InChIKeyJVMOOZAQNNMAMQ-UHFFFAOYSA-N
XLogP4.07
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethoxyphenyl)-4-(2-methoxyphenyl)-1,3-thiazole
CID 9452291
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]aniline
CID 61268827
4-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 25101048
2-(2-bromophenyl)-4-(2-methoxyphenyl)-1,3-thiazole
CID 79831089
4-(5-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)-1,3-thiazole
CID 8963152
4-(2-methoxyphenyl)-2-(3-methylthiophen-2-yl)-1,3-thiazole
CID 35618487
4-(2-methoxyphenyl)aniline;molecular nitrogen
CID 70114722
2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]aniline
CID 63447079
4-(2-methoxyphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole
CID 103597457
[3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 63152203
4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]aniline
CID 43667850
3-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]aniline
CID 43667895

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]aniline?
The IUPAC name of 4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]aniline (CID 43667839) is 4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]aniline.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]aniline?
The canonical SMILES for 4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]aniline is COc1ccccc1-c1csc(-c2ccc(N)cc2)n1.
What is the InChIKey of 4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]aniline?
The InChIKey is JVMOOZAQNNMAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-19-15-5-3-2-4-13(15)14-10-20-16(18-14)11-6-8-12(17)9-7-11/h2-10H,17H2,1H3.
What are the key properties of 4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]aniline?
4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]aniline has a molecular weight of 282.37 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]aniline is sourced from PubChem (CID 43667839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).