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

C15H17N5S — CID 82221157

IUPAC[1-(4-methyl-1,3-thiazol-2-yl)-5-(2-phenylethyl)triazol-4-yl]methanamine
SMILESCc1csc(-n2nnc(CN)c2CCc2ccccc2)n1
InChIInChI=1S/C15H17N5S/c1-11-10-21-15(17-11)20-14(13(9-16)18-19-20)8-7-12-5-3-2-4-6-12/h2-6,10H,7-9,16H2,1H3
InChIKeyYJQWYRLBRUDPSF-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.28
Rot. Bonds5

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

[1-(4-methyl-1,3-thiazol-2-yl)-5-(2-phenylethyl)triazol-4-yl]methanamine (PubChem CID 82221157) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is [1-(4-methyl-1,3-thiazol-2-yl)-5-(2-phenylethyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(4-methyl-1,3-thiazol-2-yl)-5-(2-phenylethyl)triazol-4-yl]methanamine
PubChem CID82221157
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name[1-(4-methyl-1,3-thiazol-2-yl)-5-(2-phenylethyl)triazol-4-yl]methanamine
SMILESCc1csc(-n2nnc(CN)c2CCc2ccccc2)n1
InChIInChI=1S/C15H17N5S/c1-11-10-21-15(17-11)20-14(13(9-16)18-19-20)8-7-12-5-3-2-4-6-12/h2-6,10H,7-9,16H2,1H3
InChIKeyYJQWYRLBRUDPSF-UHFFFAOYSA-N
XLogP2.28
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methyl-1,3-thiazol-2-yl)-5-(2-phenylethyl)triazol-4-yl]methanamine?
The IUPAC name of [1-(4-methyl-1,3-thiazol-2-yl)-5-(2-phenylethyl)triazol-4-yl]methanamine (CID 82221157) is [1-(4-methyl-1,3-thiazol-2-yl)-5-(2-phenylethyl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-(4-methyl-1,3-thiazol-2-yl)-5-(2-phenylethyl)triazol-4-yl]methanamine?
The canonical SMILES for [1-(4-methyl-1,3-thiazol-2-yl)-5-(2-phenylethyl)triazol-4-yl]methanamine is Cc1csc(-n2nnc(CN)c2CCc2ccccc2)n1.
What is the InChIKey of [1-(4-methyl-1,3-thiazol-2-yl)-5-(2-phenylethyl)triazol-4-yl]methanamine?
The InChIKey is YJQWYRLBRUDPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-11-10-21-15(17-11)20-14(13(9-16)18-19-20)8-7-12-5-3-2-4-6-12/h2-6,10H,7-9,16H2,1H3.
What are the key properties of [1-(4-methyl-1,3-thiazol-2-yl)-5-(2-phenylethyl)triazol-4-yl]methanamine?
[1-(4-methyl-1,3-thiazol-2-yl)-5-(2-phenylethyl)triazol-4-yl]methanamine has a molecular weight of 299.40 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methyl-1,3-thiazol-2-yl)-5-(2-phenylethyl)triazol-4-yl]methanamine is sourced from PubChem (CID 82221157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).