5-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine

C19H17N5OS — CID 53034207

IUPAC5-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine
SMILESCCOc1ccc(-c2csc(-c3nnn(-c4ccccc4)c3N)n2)cc1
InChIInChI=1S/C19H17N5OS/c1-2-25-15-10-8-13(9-11-15)16-12-26-19(21-16)17-18(20)24(23-22-17)14-6-4-3-5-7-14/h3-12H,2,20H2,1H3
InChIKeyHVZZYSMMPPYDLH-UHFFFAOYSA-N
MW363.45 g/mol
LogP4.04
Rot. Bonds5

About 5-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine

5-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine (PubChem CID 53034207) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is 5-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine.

Molecular Properties

Compound Name5-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine
PubChem CID53034207
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Name5-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine
SMILESCCOc1ccc(-c2csc(-c3nnn(-c4ccccc4)c3N)n2)cc1
InChIInChI=1S/C19H17N5OS/c1-2-25-15-10-8-13(9-11-15)16-12-26-19(21-16)17-18(20)24(23-22-17)14-6-4-3-5-7-14/h3-12H,2,20H2,1H3
InChIKeyHVZZYSMMPPYDLH-UHFFFAOYSA-N
XLogP4.04
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine?
The IUPAC name of 5-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine (CID 53034207) is 5-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine.
What is the SMILES notation for 5-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine?
The canonical SMILES for 5-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine is CCOc1ccc(-c2csc(-c3nnn(-c4ccccc4)c3N)n2)cc1.
What is the InChIKey of 5-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine?
The InChIKey is HVZZYSMMPPYDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-2-25-15-10-8-13(9-11-15)16-12-26-19(21-16)17-18(20)24(23-22-17)14-6-4-3-5-7-14/h3-12H,2,20H2,1H3.
What are the key properties of 5-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine?
5-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine has a molecular weight of 363.45 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine is sourced from PubChem (CID 53034207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).