N-[(3,5-dimethylphenyl)methyl]-4-(1,3-thiazol-2-yl)aniline

C18H18N2S — CID 60694542

IUPACN-[(3,5-dimethylphenyl)methyl]-4-(1,3-thiazol-2-yl)aniline
SMILESCc1cc(C)cc(CNc2ccc(-c3nccs3)cc2)c1
InChIInChI=1S/C18H18N2S/c1-13-9-14(2)11-15(10-13)12-20-17-5-3-16(4-6-17)18-19-7-8-21-18/h3-11,20H,12H2,1-2H3
InChIKeyJDIIALUSPLTIAI-UHFFFAOYSA-N
MW294.42 g/mol
LogP5.04
Rot. Bonds4

About N-[(3,5-dimethylphenyl)methyl]-4-(1,3-thiazol-2-yl)aniline

N-[(3,5-dimethylphenyl)methyl]-4-(1,3-thiazol-2-yl)aniline (PubChem CID 60694542) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)methyl]-4-(1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)methyl]-4-(1,3-thiazol-2-yl)aniline
PubChem CID60694542
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC NameN-[(3,5-dimethylphenyl)methyl]-4-(1,3-thiazol-2-yl)aniline
SMILESCc1cc(C)cc(CNc2ccc(-c3nccs3)cc2)c1
InChIInChI=1S/C18H18N2S/c1-13-9-14(2)11-15(10-13)12-20-17-5-3-16(4-6-17)18-19-7-8-21-18/h3-11,20H,12H2,1-2H3
InChIKeyJDIIALUSPLTIAI-UHFFFAOYSA-N
XLogP5.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.42
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylsulfanylphenyl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 60694138
2-(3,5-dimethylphenoxy)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 8795737
N-[(3-bromothiophen-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 115380154
2-[[4-(1,3-thiazol-2-yl)anilino]methyl]phenol
CID 60927719
N-(pyrimidin-4-ylmethyl)-4-(1,3-thiazol-2-yl)aniline
CID 62749085
N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 62352245
N-(2-ethylbutyl)-4-(1,3-thiazol-2-yl)aniline
CID 54861913
N-[(3-methyltriazol-4-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 115749257
2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
CID 901538
N-(2,2-dimethoxyethyl)-4-(1,3-thiazol-2-yl)aniline
CID 63696540
N-octyl-4-(1,3-thiazol-2-yl)aniline
CID 63448826
N-[(1-ethenylpyrazol-4-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 106936467

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)methyl]-4-(1,3-thiazol-2-yl)aniline?
The IUPAC name of N-[(3,5-dimethylphenyl)methyl]-4-(1,3-thiazol-2-yl)aniline (CID 60694542) is N-[(3,5-dimethylphenyl)methyl]-4-(1,3-thiazol-2-yl)aniline.
What is the SMILES notation for N-[(3,5-dimethylphenyl)methyl]-4-(1,3-thiazol-2-yl)aniline?
The canonical SMILES for N-[(3,5-dimethylphenyl)methyl]-4-(1,3-thiazol-2-yl)aniline is Cc1cc(C)cc(CNc2ccc(-c3nccs3)cc2)c1.
What is the InChIKey of N-[(3,5-dimethylphenyl)methyl]-4-(1,3-thiazol-2-yl)aniline?
The InChIKey is JDIIALUSPLTIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-13-9-14(2)11-15(10-13)12-20-17-5-3-16(4-6-17)18-19-7-8-21-18/h3-11,20H,12H2,1-2H3.
What are the key properties of N-[(3,5-dimethylphenyl)methyl]-4-(1,3-thiazol-2-yl)aniline?
N-[(3,5-dimethylphenyl)methyl]-4-(1,3-thiazol-2-yl)aniline has a molecular weight of 294.42 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)methyl]-4-(1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 60694542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).