4-[[2-methyl-5-(1-methyltriazol-4-yl)phenoxy]methyl]thiophen-3-amine

C15H16N4OS — CID 141193568

IUPAC4-[[2-methyl-5-(1-methyltriazol-4-yl)phenoxy]methyl]thiophen-3-amine
SMILESCc1ccc(-c2cn(C)nn2)cc1OCc1cscc1N
InChIInChI=1S/C15H16N4OS/c1-10-3-4-11(14-6-19(2)18-17-14)5-15(10)20-7-12-8-21-9-13(12)16/h3-6,8-9H,7,16H2,1-2H3
InChIKeyCBUABSZGUPNGII-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.01
Rot. Bonds4

About 4-[[2-methyl-5-(1-methyltriazol-4-yl)phenoxy]methyl]thiophen-3-amine

4-[[2-methyl-5-(1-methyltriazol-4-yl)phenoxy]methyl]thiophen-3-amine (PubChem CID 141193568) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 4-[[2-methyl-5-(1-methyltriazol-4-yl)phenoxy]methyl]thiophen-3-amine.

Molecular Properties

Compound Name4-[[2-methyl-5-(1-methyltriazol-4-yl)phenoxy]methyl]thiophen-3-amine
PubChem CID141193568
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name4-[[2-methyl-5-(1-methyltriazol-4-yl)phenoxy]methyl]thiophen-3-amine
SMILESCc1ccc(-c2cn(C)nn2)cc1OCc1cscc1N
InChIInChI=1S/C15H16N4OS/c1-10-3-4-11(14-6-19(2)18-17-14)5-15(10)20-7-12-8-21-9-13(12)16/h3-6,8-9H,7,16H2,1-2H3
InChIKeyCBUABSZGUPNGII-UHFFFAOYSA-N
XLogP3.01
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-3-[[2-methyl-5-(1-methyltriazol-4-yl)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid
CID 68618754
[4-amino-3-[[2-methyl-5-(1-methyltriazol-4-yl)phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] N-(2-hydroxyethyl)carbamate
CID 68619942
4-[(5-fluoro-2-methylphenoxy)methyl]-1-methyltriazole
CID 102975429
[4-amino-3-[[5-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-2-methylphenoxy]methyl]thieno[3,2-c]pyridin-7-yl] N-(2-hydroxyethyl)carbamate
CID 68621315
3-(1-methyltriazol-4-yl)aniline
CID 89194018
1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]triazole
CID 103866206
4-amino-3-[[5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid
CID 24810288
ethyl 4-chloro-3-[[2-methyl-5-(4-methyl-1,2,4-triazol-3-yl)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylate
CID 86617503
2-methyl-4-[(1-methyltriazol-4-yl)methoxy]aniline
CID 107040834
5-(1-methyltriazol-4-yl)pyridin-3-amine
CID 130602643
1-methyl-4-phenyltriazole
CID 11309663
3-[4-(3,4-dimethylphenyl)triazol-1-yl]-4-methoxyaniline
CID 82369836

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methyl-5-(1-methyltriazol-4-yl)phenoxy]methyl]thiophen-3-amine?
The IUPAC name of 4-[[2-methyl-5-(1-methyltriazol-4-yl)phenoxy]methyl]thiophen-3-amine (CID 141193568) is 4-[[2-methyl-5-(1-methyltriazol-4-yl)phenoxy]methyl]thiophen-3-amine.
What is the SMILES notation for 4-[[2-methyl-5-(1-methyltriazol-4-yl)phenoxy]methyl]thiophen-3-amine?
The canonical SMILES for 4-[[2-methyl-5-(1-methyltriazol-4-yl)phenoxy]methyl]thiophen-3-amine is Cc1ccc(-c2cn(C)nn2)cc1OCc1cscc1N.
What is the InChIKey of 4-[[2-methyl-5-(1-methyltriazol-4-yl)phenoxy]methyl]thiophen-3-amine?
The InChIKey is CBUABSZGUPNGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-10-3-4-11(14-6-19(2)18-17-14)5-15(10)20-7-12-8-21-9-13(12)16/h3-6,8-9H,7,16H2,1-2H3.
What are the key properties of 4-[[2-methyl-5-(1-methyltriazol-4-yl)phenoxy]methyl]thiophen-3-amine?
4-[[2-methyl-5-(1-methyltriazol-4-yl)phenoxy]methyl]thiophen-3-amine has a molecular weight of 300.39 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methyl-5-(1-methyltriazol-4-yl)phenoxy]methyl]thiophen-3-amine is sourced from PubChem (CID 141193568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).