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

C13H13N5OS2 — CID 7978022

IUPAC3-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-4-amine
SMILESCOc1cccc(-c2nc(CSc3nncn3N)cs2)c1
InChIInChI=1S/C13H13N5OS2/c1-19-11-4-2-3-9(5-11)12-16-10(6-20-12)7-21-13-17-15-8-18(13)14/h2-6,8H,7,14H2,1H3
InChIKeyJOBQFIHYZOFHDJ-UHFFFAOYSA-N
MW319.42 g/mol
LogP2.42
Rot. Bonds5

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

3-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-4-amine (PubChem CID 7978022) has the molecular formula C13H13N5OS2 and a molecular weight of 319.42 g/mol. Its IUPAC name is 3-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-4-amine
PubChem CID7978022
Molecular FormulaC13H13N5OS2
Molecular Weight319.42 g/mol
Exact Mass319.06
IUPAC Name3-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-4-amine
SMILESCOc1cccc(-c2nc(CSc3nncn3N)cs2)c1
InChIInChI=1S/C13H13N5OS2/c1-19-11-4-2-3-9(5-11)12-16-10(6-20-12)7-21-13-17-15-8-18(13)14/h2-6,8H,7,14H2,1H3
InChIKeyJOBQFIHYZOFHDJ-UHFFFAOYSA-N
XLogP2.42
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-4-amine with MolForge

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Related Compounds

2-(3-methoxyphenyl)-4-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 7903148
4-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(3-methoxyphenyl)-1,3-thiazole
CID 51302404
2-(3-methoxyphenyl)-4-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 42989865
2-(3-methoxyphenyl)-4-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazole
CID 52772137
4-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(3-methoxyphenyl)-1,3-thiazole
CID 16505758
2-(3-methoxyphenyl)-4-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanylmethyl]-1,3-thiazole
CID 38463358
4-[[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(3-methoxyphenyl)-1,3-thiazole
CID 7878128
4-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-thiazole
CID 31104142
3-(3-fluorophenyl)-5-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-4-amine
CID 7770120
3-methyl-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 2433072
2-(3-methoxyphenyl)-4-(2-methylpropyl)-1,3-thiazole
CID 146521628
4-(2-chloroethyl)-2-(3-methoxyphenyl)-1,3-thiazole
CID 82088342

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-4-amine?
The IUPAC name of 3-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-4-amine (CID 7978022) is 3-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-4-amine?
The canonical SMILES for 3-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-4-amine is COc1cccc(-c2nc(CSc3nncn3N)cs2)c1.
What is the InChIKey of 3-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-4-amine?
The InChIKey is JOBQFIHYZOFHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS2/c1-19-11-4-2-3-9(5-11)12-16-10(6-20-12)7-21-13-17-15-8-18(13)14/h2-6,8H,7,14H2,1H3.
What are the key properties of 3-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-4-amine?
3-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-4-amine has a molecular weight of 319.42 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-4-amine is sourced from PubChem (CID 7978022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).