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

C18H15N5OS — CID 45499510

IUPAC5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine
SMILESCOc1ccc(-c2csc(-c3nnn(-c4ccccc4)c3N)n2)cc1
InChIInChI=1S/C18H15N5OS/c1-24-14-9-7-12(8-10-14)15-11-25-18(20-15)16-17(19)23(22-21-16)13-5-3-2-4-6-13/h2-11H,19H2,1H3
InChIKeyBZLIGIBFDCXQFV-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.65
Rot. Bonds4

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

5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine (PubChem CID 45499510) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is 5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine.

Molecular Properties

Compound Name5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine
PubChem CID45499510
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC Name5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine
SMILESCOc1ccc(-c2csc(-c3nnn(-c4ccccc4)c3N)n2)cc1
InChIInChI=1S/C18H15N5OS/c1-24-14-9-7-12(8-10-14)15-11-25-18(20-15)16-17(19)23(22-21-16)13-5-3-2-4-6-13/h2-11H,19H2,1H3
InChIKeyBZLIGIBFDCXQFV-UHFFFAOYSA-N
XLogP3.65
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine?
The IUPAC name of 5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine (CID 45499510) is 5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine.
What is the SMILES notation for 5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine?
The canonical SMILES for 5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine is COc1ccc(-c2csc(-c3nnn(-c4ccccc4)c3N)n2)cc1.
What is the InChIKey of 5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine?
The InChIKey is BZLIGIBFDCXQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS/c1-24-14-9-7-12(8-10-14)15-11-25-18(20-15)16-17(19)23(22-21-16)13-5-3-2-4-6-13/h2-11H,19H2,1H3.
What are the key properties of 5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine?
5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine has a molecular weight of 349.42 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine is sourced from PubChem (CID 45499510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).