[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine

C18H18N2S — CID 20983796

IUPAC[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
SMILESCc1ccc(-c2csc(-c3ccccc3CN)n2)cc1C
InChIInChI=1S/C18H18N2S/c1-12-7-8-14(9-13(12)2)17-11-21-18(20-17)16-6-4-3-5-15(16)10-19/h3-9,11H,10,19H2,1-2H3
InChIKeyNYNKJAYFRQLCSR-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.55
Rot. Bonds3

About [2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine

[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine (PubChem CID 20983796) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is [2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
PubChem CID20983796
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC Name[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
SMILESCc1ccc(-c2csc(-c3ccccc3CN)n2)cc1C
InChIInChI=1S/C18H18N2S/c1-12-7-8-14(9-13(12)2)17-11-21-18(20-17)16-6-4-3-5-15(16)10-19/h3-9,11H,10,19H2,1-2H3
InChIKeyNYNKJAYFRQLCSR-UHFFFAOYSA-N
XLogP4.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-phenyl-1,3-thiazol-2-yl)phenyl]methanamine;dihydrochloride
CID 20983786
2-(2-bromophenyl)-4-(3,4-dimethylphenyl)-1,3-thiazole
CID 79832425
[2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983842
2-[3-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]isoindole-1,3-dione
CID 168518353
4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrochloride
CID 2870539
4-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyridin-2-amine
CID 103597395
[3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983736
[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazine
CID 7174047
2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 82164375
2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]acetonitrile
CID 116889988
[3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 63152203
2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-methyl-4-(4-methylphenyl)-1,3-thiazole
CID 46339242

Frequently Asked Questions

What is the IUPAC name of [2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine?
The IUPAC name of [2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine (CID 20983796) is [2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine.
What is the SMILES notation for [2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine?
The canonical SMILES for [2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine is Cc1ccc(-c2csc(-c3ccccc3CN)n2)cc1C.
What is the InChIKey of [2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine?
The InChIKey is NYNKJAYFRQLCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-12-7-8-14(9-13(12)2)17-11-21-18(20-17)16-6-4-3-5-15(16)10-19/h3-9,11H,10,19H2,1-2H3.
What are the key properties of [2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine?
[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine has a molecular weight of 294.42 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine is sourced from PubChem (CID 20983796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).