[5-benzyl-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine

C18H18N2S — CID 82106451

IUPAC[5-benzyl-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine
SMILESCc1ccccc1-c1nc(CN)sc1Cc1ccccc1
InChIInChI=1S/C18H18N2S/c1-13-7-5-6-10-15(13)18-16(21-17(12-19)20-18)11-14-8-3-2-4-9-14/h2-10H,11-12,19H2,1H3
InChIKeyOROCYGHJFCNICT-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.17
Rot. Bonds4

About [5-benzyl-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine

[5-benzyl-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 82106451) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is [5-benzyl-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-benzyl-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine
PubChem CID82106451
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC Name[5-benzyl-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine
SMILESCc1ccccc1-c1nc(CN)sc1Cc1ccccc1
InChIInChI=1S/C18H18N2S/c1-13-7-5-6-10-15(13)18-16(21-17(12-19)20-18)11-14-8-3-2-4-9-14/h2-10H,11-12,19H2,1H3
InChIKeyOROCYGHJFCNICT-UHFFFAOYSA-N
XLogP4.17
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 82106460
2-(aminomethyl)-5-(2-methylphenyl)-1,3-thiazole-4-carbonitrile
CID 82474151
[5-(3-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 82106600
[2-[(2-methylphenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81177624
[5-(pyridin-4-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-yl]methanamine
CID 82106424
[5-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine
CID 82054609
4-(2-methylphenyl)-5-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 82106448
(2-benzyl-4-tert-butyl-1,3-thiazol-5-yl)methanamine
CID 82438449
[2-[(4-chlorophenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81177501
[4-(4-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine
CID 82106468
[4-(3-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine
CID 82106482
[2-benzyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440089

Frequently Asked Questions

What is the IUPAC name of [5-benzyl-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-benzyl-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine (CID 82106451) is [5-benzyl-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-benzyl-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-benzyl-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine is Cc1ccccc1-c1nc(CN)sc1Cc1ccccc1.
What is the InChIKey of [5-benzyl-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is OROCYGHJFCNICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-13-7-5-6-10-15(13)18-16(21-17(12-19)20-18)11-14-8-3-2-4-9-14/h2-10H,11-12,19H2,1H3.
What are the key properties of [5-benzyl-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine?
[5-benzyl-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 294.42 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-benzyl-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 82106451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).