4-[4-(2,4-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine

C14H15N5O2S — CID 73353662

IUPAC4-[4-(2,4-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine
SMILESCOc1ccc(-n2c(C)nnc2-c2csc(N)n2)c(OC)c1
InChIInChI=1S/C14H15N5O2S/c1-8-17-18-13(10-7-22-14(15)16-10)19(8)11-5-4-9(20-2)6-12(11)21-3/h4-7H,1-3H3,(H2,15,16)
InChIKeyXLAUFEMYORSIER-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.30
Rot. Bonds4

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

4-[4-(2,4-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine (PubChem CID 73353662) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is 4-[4-(2,4-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-(2,4-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine
PubChem CID73353662
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC Name4-[4-(2,4-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine
SMILESCOc1ccc(-n2c(C)nnc2-c2csc(N)n2)c(OC)c1
InChIInChI=1S/C14H15N5O2S/c1-8-17-18-13(10-7-22-14(15)16-10)19(8)11-5-4-9(20-2)6-12(11)21-3/h4-7H,1-3H3,(H2,15,16)
InChIKeyXLAUFEMYORSIER-UHFFFAOYSA-N
XLogP2.30
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,4-dimethoxyphenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 972358
N-(2,4-dimethoxyphenyl)-4-(2-thienyl)-1,3-thiazol-2-amine
CID 973116
1-[4-[4-(2,4-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1,3-thiazol-2-yl]-3-phenylthiourea
CID 73353663
2-{[4-amino-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
CID 7272554
N-acetyl-N-[4-[4-(2,4-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1,3-thiazol-2-yl]acetamide
CID 72205794
US11046680, Example 13.0
CID 134541923
US11046680, Example 311.0
CID 134543008
3-(2-amino-1,3-thiazol-4-yl)-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 72205606
N-[4-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 18775170
4-(2,6-dimethoxyphenyl)-N-[1-(5-fluoropyrimidin-2-yl)propan-2-ylsulfanyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-amine
CID 134558595
2-[2-[[4-(2,6-Dimethoxyphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]amino]sulfanylethyl]-5-fluorobenzonitrile
CID 134558769
4-(2,6-dimethoxyphenyl)-N-[2-(5-fluoropyrimidin-2-yl)ethylsulfanyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-amine
CID 134558811

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-(2,4-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine (CID 73353662) is 4-[4-(2,4-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-(2,4-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-(2,4-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine is COc1ccc(-n2c(C)nnc2-c2csc(N)n2)c(OC)c1.
What is the InChIKey of 4-[4-(2,4-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine?
The InChIKey is XLAUFEMYORSIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S/c1-8-17-18-13(10-7-22-14(15)16-10)19(8)11-5-4-9(20-2)6-12(11)21-3/h4-7H,1-3H3,(H2,15,16).
What are the key properties of 4-[4-(2,4-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine?
4-[4-(2,4-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine has a molecular weight of 317.37 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 73353662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).