4-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine

C16H15N3OS — CID 25101048

IUPAC4-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
SMILESCOc1ccccc1-c1csc(Nc2ccc(N)cc2)n1
InChIInChI=1S/C16H15N3OS/c1-20-15-5-3-2-4-13(15)14-10-21-16(19-14)18-12-8-6-11(17)7-9-12/h2-10H,17H2,1H3,(H,18,19)
InChIKeyZYRACWFSDXWQKO-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.14
Rot. Bonds4

About 4-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine

4-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine (PubChem CID 25101048) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
PubChem CID25101048
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name4-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
SMILESCOc1ccccc1-c1csc(Nc2ccc(N)cc2)n1
InChIInChI=1S/C16H15N3OS/c1-20-15-5-3-2-4-13(15)14-10-21-16(19-14)18-12-8-6-11(17)7-9-12/h2-10H,17H2,1H3,(H,18,19)
InChIKeyZYRACWFSDXWQKO-UHFFFAOYSA-N
XLogP4.14
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 8962541
4-(2-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 4806347
N-(3,4-dichlorophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 5168594
4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]aniline
CID 43667839
N-(1,3-benzodioxol-5-yl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 70696152
4-(5-fluoro-2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 8962514
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 58910459
N-(3,5-difluorophenyl)-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine
CID 166379526
4-N-[6-(2-methoxyphenyl)-2-methylpyrimidin-4-yl]benzene-1,4-diamine
CID 68917912
4-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 82059186
4-(2-methoxyphenyl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110536567
4-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 1075886

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine?
The IUPAC name of 4-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine (CID 25101048) is 4-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine?
The canonical SMILES for 4-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine is COc1ccccc1-c1csc(Nc2ccc(N)cc2)n1.
What is the InChIKey of 4-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine?
The InChIKey is ZYRACWFSDXWQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-20-15-5-3-2-4-13(15)14-10-21-16(19-14)18-12-8-6-11(17)7-9-12/h2-10H,17H2,1H3,(H,18,19).
What are the key properties of 4-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine?
4-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine has a molecular weight of 297.38 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine is sourced from PubChem (CID 25101048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).