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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Related Compounds

5-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine
CID 53034207
5-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)triazol-4-amine
CID 53034218
3-(3-chloro-4-methylphenyl)-5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]triazol-4-amine
CID 45499545
5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(4-phenylmethoxyphenyl)triazol-4-amine
CID 53082546
5-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)triazol-4-amine
CID 53034220
5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine
CID 53034257
5-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine
CID 53034256
5-(4-methyl-1,3-thiazol-2-yl)-3-phenyltriazol-4-amine
CID 46197538
5-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]triazol-4-amine
CID 45499383
3-(5-chloro-2,4-dimethoxyphenyl)-5-(4-phenyl-1,3-thiazol-2-yl)triazol-4-amine
CID 45499225
3-(4-chlorophenyl)-5-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]triazol-4-amine
CID 53034271
5-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)triazol-4-amine
CID 53082527

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).