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

C14H15N5S — CID 82221146

IUPAC[5-(4-methylphenyl)-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine
SMILESCc1ccc(-c2c(CN)nnn2-c2nc(C)cs2)cc1
InChIInChI=1S/C14H15N5S/c1-9-3-5-11(6-4-9)13-12(7-15)17-18-19(13)14-16-10(2)8-20-14/h3-6,8H,7,15H2,1-2H3
InChIKeyNBONSKOOYPKYKK-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.47
Rot. Bonds3

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

[5-(4-methylphenyl)-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine (PubChem CID 82221146) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is [5-(4-methylphenyl)-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(4-methylphenyl)-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine
PubChem CID82221146
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC Name[5-(4-methylphenyl)-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine
SMILESCc1ccc(-c2c(CN)nnn2-c2nc(C)cs2)cc1
InChIInChI=1S/C14H15N5S/c1-9-3-5-11(6-4-9)13-12(7-15)17-18-19(13)14-16-10(2)8-20-14/h3-6,8H,7,15H2,1-2H3
InChIKeyNBONSKOOYPKYKK-UHFFFAOYSA-N
XLogP2.47
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(3-methoxyphenyl)-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 82221151
[1-(4-methyl-1,3-thiazol-2-yl)-5-(2-phenylethyl)triazol-4-yl]methanamine
CID 82221157
[1-(3,4-dimethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanamine
CID 82196160
[5-(4-methylphenyl)-1-(4-propan-2-ylphenyl)triazol-4-yl]methanamine
CID 94938003
[5-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanol
CID 94962651
5-(3,4-dimethylphenyl)-1-(4-methyl-1,3-thiazol-2-yl)triazole-4-carbaldehyde
CID 82221086
[1-ethyl-5-(4-methylphenyl)triazol-4-yl]methanamine
CID 82207457
1-[1-(4-methyl-1,3-thiazol-2-yl)-5-phenyltriazol-4-yl]ethanone
CID 82221169
[5-(3,4-difluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine
CID 94962757
[5-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)triazol-4-yl]methanamine
CID 94938674
[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-pyridin-4-yltriazol-4-yl]methanamine
CID 82221614
[5-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanol
CID 82221036

Frequently Asked Questions

What is the IUPAC name of [5-(4-methylphenyl)-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine?
The IUPAC name of [5-(4-methylphenyl)-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine (CID 82221146) is [5-(4-methylphenyl)-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine.
What is the SMILES notation for [5-(4-methylphenyl)-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine?
The canonical SMILES for [5-(4-methylphenyl)-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine is Cc1ccc(-c2c(CN)nnn2-c2nc(C)cs2)cc1.
What is the InChIKey of [5-(4-methylphenyl)-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine?
The InChIKey is NBONSKOOYPKYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c1-9-3-5-11(6-4-9)13-12(7-15)17-18-19(13)14-16-10(2)8-20-14/h3-6,8H,7,15H2,1-2H3.
What are the key properties of [5-(4-methylphenyl)-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine?
[5-(4-methylphenyl)-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine has a molecular weight of 285.38 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylphenyl)-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine is sourced from PubChem (CID 82221146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).