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

C13H13N5S — CID 82220928

IUPAC[5-(2-methylphenyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine
SMILESCc1ccccc1-c1c(CN)nnn1-c1nccs1
InChIInChI=1S/C13H13N5S/c1-9-4-2-3-5-10(9)12-11(8-14)16-17-18(12)13-15-6-7-19-13/h2-7H,8,14H2,1H3
InChIKeyRPHQDKVFIAQEBS-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.16
Rot. Bonds3

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

[5-(2-methylphenyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine (PubChem CID 82220928) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is [5-(2-methylphenyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2-methylphenyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine
PubChem CID82220928
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Name[5-(2-methylphenyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine
SMILESCc1ccccc1-c1c(CN)nnn1-c1nccs1
InChIInChI=1S/C13H13N5S/c1-9-4-2-3-5-10(9)12-11(8-14)16-17-18(12)13-15-6-7-19-13/h2-7H,8,14H2,1H3
InChIKeyRPHQDKVFIAQEBS-UHFFFAOYSA-N
XLogP2.16
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-methylphenyl)-1-(1,3-thiazol-2-yl)triazole-4-carbaldehyde
CID 82220814
[5-(2-fluorophenyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol
CID 82220821
[1-(4-ethylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanamine
CID 82198461
4-[4-(aminomethyl)-5-(2-methylphenyl)triazol-1-yl]-N,N-dimethylaniline
CID 94939636
[1-(3-chloro-4-methylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanamine
CID 94938737
[5-(2-methylpropyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 82220922
[5-(methoxymethyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 82220951
[5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine
CID 82221388
3-[4-(aminomethyl)-5-(2-methylphenyl)triazol-1-yl]benzoic acid
CID 94937823
[5-[(4-ethylphenoxy)methyl]-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 94962601
[5-[(E)-2-(4-chlorophenyl)ethenyl]-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 94962604
5-(3-amino-4-methylphenyl)-1-(1,3-thiazol-2-yl)triazole-4-carboxylic acid
CID 82220764

Frequently Asked Questions

What is the IUPAC name of [5-(2-methylphenyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine?
The IUPAC name of [5-(2-methylphenyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine (CID 82220928) is [5-(2-methylphenyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine.
What is the SMILES notation for [5-(2-methylphenyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine?
The canonical SMILES for [5-(2-methylphenyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine is Cc1ccccc1-c1c(CN)nnn1-c1nccs1.
What is the InChIKey of [5-(2-methylphenyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine?
The InChIKey is RPHQDKVFIAQEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-9-4-2-3-5-10(9)12-11(8-14)16-17-18(12)13-15-6-7-19-13/h2-7H,8,14H2,1H3.
What are the key properties of [5-(2-methylphenyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine?
[5-(2-methylphenyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine has a molecular weight of 271.35 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylphenyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine is sourced from PubChem (CID 82220928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).