5-(4-methyl-1,3-thiazol-2-yl)-3-phenyltriazol-4-amine

C12H11N5S — CID 46197538

IUPAC5-(4-methyl-1,3-thiazol-2-yl)-3-phenyltriazol-4-amine
SMILESCc1csc(-c2nnn(-c3ccccc3)c2N)n1
InChIInChI=1S/C12H11N5S/c1-8-7-18-12(14-8)10-11(13)17(16-15-10)9-5-3-2-4-6-9/h2-7H,13H2,1H3
InChIKeyHAHCTAJVPHSIKQ-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.28
Rot. Bonds2

About 5-(4-methyl-1,3-thiazol-2-yl)-3-phenyltriazol-4-amine

5-(4-methyl-1,3-thiazol-2-yl)-3-phenyltriazol-4-amine (PubChem CID 46197538) has the molecular formula C12H11N5S and a molecular weight of 257.32 g/mol. Its IUPAC name is 5-(4-methyl-1,3-thiazol-2-yl)-3-phenyltriazol-4-amine.

Molecular Properties

Compound Name5-(4-methyl-1,3-thiazol-2-yl)-3-phenyltriazol-4-amine
PubChem CID46197538
Molecular FormulaC12H11N5S
Molecular Weight257.32 g/mol
Exact Mass257.07
IUPAC Name5-(4-methyl-1,3-thiazol-2-yl)-3-phenyltriazol-4-amine
SMILESCc1csc(-c2nnn(-c3ccccc3)c2N)n1
InChIInChI=1S/C12H11N5S/c1-8-7-18-12(14-8)10-11(13)17(16-15-10)9-5-3-2-4-6-9/h2-7H,13H2,1H3
InChIKeyHAHCTAJVPHSIKQ-UHFFFAOYSA-N
XLogP2.28
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-1,3-thiazol-2-yl)-3-phenyltriazol-4-amine?
The IUPAC name of 5-(4-methyl-1,3-thiazol-2-yl)-3-phenyltriazol-4-amine (CID 46197538) is 5-(4-methyl-1,3-thiazol-2-yl)-3-phenyltriazol-4-amine.
What is the SMILES notation for 5-(4-methyl-1,3-thiazol-2-yl)-3-phenyltriazol-4-amine?
The canonical SMILES for 5-(4-methyl-1,3-thiazol-2-yl)-3-phenyltriazol-4-amine is Cc1csc(-c2nnn(-c3ccccc3)c2N)n1.
What is the InChIKey of 5-(4-methyl-1,3-thiazol-2-yl)-3-phenyltriazol-4-amine?
The InChIKey is HAHCTAJVPHSIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5S/c1-8-7-18-12(14-8)10-11(13)17(16-15-10)9-5-3-2-4-6-9/h2-7H,13H2,1H3.
What are the key properties of 5-(4-methyl-1,3-thiazol-2-yl)-3-phenyltriazol-4-amine?
5-(4-methyl-1,3-thiazol-2-yl)-3-phenyltriazol-4-amine has a molecular weight of 257.32 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-1,3-thiazol-2-yl)-3-phenyltriazol-4-amine is sourced from PubChem (CID 46197538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).