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

C20H19N5OS — CID 53034218

IUPAC5-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)triazol-4-amine
SMILESCOc1ccc(-n2nnc(-c3nc(-c4ccc(C)c(C)c4)cs3)c2N)cc1
InChIInChI=1S/C20H19N5OS/c1-12-4-5-14(10-13(12)2)17-11-27-20(22-17)18-19(21)25(24-23-18)15-6-8-16(26-3)9-7-15/h4-11H,21H2,1-3H3
InChIKeyHNVRREYMCSWOCO-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.27
Rot. Bonds4

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

5-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)triazol-4-amine (PubChem CID 53034218) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is 5-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)triazol-4-amine.

Molecular Properties

Compound Name5-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)triazol-4-amine
PubChem CID53034218
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name5-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)triazol-4-amine
SMILESCOc1ccc(-n2nnc(-c3nc(-c4ccc(C)c(C)c4)cs3)c2N)cc1
InChIInChI=1S/C20H19N5OS/c1-12-4-5-14(10-13(12)2)17-11-27-20(22-17)18-19(21)25(24-23-18)15-6-8-16(26-3)9-7-15/h4-11H,21H2,1-3H3
InChIKeyHNVRREYMCSWOCO-UHFFFAOYSA-N
XLogP4.27
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-chloro-4-methylphenyl)-5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]triazol-4-amine
CID 45499545
5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine
CID 45499510
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-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(4-phenylmethoxyphenyl)triazol-4-amine
CID 53082546
5-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine
CID 53034207
5-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)triazol-4-amine
CID 53082527
5-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(3-fluoro-4-methylphenyl)triazol-4-amine
CID 53034314
3-(4-chlorophenyl)-5-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]triazol-4-amine
CID 53034271
3-(5-chloro-2,4-dimethoxyphenyl)-5-(4-phenyl-1,3-thiazol-2-yl)triazol-4-amine
CID 45499225
5-(4-methyl-1,3-thiazol-2-yl)-3-phenyltriazol-4-amine
CID 46197538

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)triazol-4-amine?
The IUPAC name of 5-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)triazol-4-amine (CID 53034218) is 5-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)triazol-4-amine.
What is the SMILES notation for 5-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)triazol-4-amine?
The canonical SMILES for 5-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)triazol-4-amine is COc1ccc(-n2nnc(-c3nc(-c4ccc(C)c(C)c4)cs3)c2N)cc1.
What is the InChIKey of 5-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)triazol-4-amine?
The InChIKey is HNVRREYMCSWOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-12-4-5-14(10-13(12)2)17-11-27-20(22-17)18-19(21)25(24-23-18)15-6-8-16(26-3)9-7-15/h4-11H,21H2,1-3H3.
What are the key properties of 5-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)triazol-4-amine?
5-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)triazol-4-amine has a molecular weight of 377.47 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)triazol-4-amine is sourced from PubChem (CID 53034218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).