4-methyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]thiophen-3-amine

C9H6F3N5S2 — CID 114915776

IUPAC4-methyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]thiophen-3-amine
SMILESCc1csc(-c2nn3c(C(F)(F)F)nnc3s2)c1N
InChIInChI=1S/C9H6F3N5S2/c1-3-2-18-5(4(3)13)6-16-17-7(9(10,11)12)14-15-8(17)19-6/h2H,13H2,1H3
InChIKeyFRZTVAOEWMNHPN-UHFFFAOYSA-N
MW305.31 g/mol
LogP2.82
Rot. Bonds1

About 4-methyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]thiophen-3-amine

4-methyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]thiophen-3-amine (PubChem CID 114915776) has the molecular formula C9H6F3N5S2 and a molecular weight of 305.31 g/mol. Its IUPAC name is 4-methyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]thiophen-3-amine.

Molecular Properties

Compound Name4-methyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]thiophen-3-amine
PubChem CID114915776
Molecular FormulaC9H6F3N5S2
Molecular Weight305.31 g/mol
Exact Mass305.00
IUPAC Name4-methyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]thiophen-3-amine
SMILESCc1csc(-c2nn3c(C(F)(F)F)nnc3s2)c1N
InChIInChI=1S/C9H6F3N5S2/c1-3-2-18-5(4(3)13)6-16-17-7(9(10,11)12)14-15-8(17)19-6/h2H,13H2,1H3
InChIKeyFRZTVAOEWMNHPN-UHFFFAOYSA-N
XLogP2.82
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-3-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
CID 82048281
3,6-dichloro-2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
CID 107050307
6-(1,3-dimethylpyrazol-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 19616122
6-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pyridin-3-amine
CID 114352910
6-(3-methylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 850279
2-methyl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-oxazole
CID 51043868
6-(4-chloro-1,5-dimethylpyrazol-3-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 19616087
5-methyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenol
CID 136991416
2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiophen-3-amine
CID 114352094
4-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzene-1,3-diol
CID 136903903
6-(furan-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 667007
3-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzene-1,2-diol
CID 136991425

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]thiophen-3-amine?
The IUPAC name of 4-methyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]thiophen-3-amine (CID 114915776) is 4-methyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]thiophen-3-amine.
What is the SMILES notation for 4-methyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]thiophen-3-amine?
The canonical SMILES for 4-methyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]thiophen-3-amine is Cc1csc(-c2nn3c(C(F)(F)F)nnc3s2)c1N.
What is the InChIKey of 4-methyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]thiophen-3-amine?
The InChIKey is FRZTVAOEWMNHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N5S2/c1-3-2-18-5(4(3)13)6-16-17-7(9(10,11)12)14-15-8(17)19-6/h2H,13H2,1H3.
What are the key properties of 4-methyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]thiophen-3-amine?
4-methyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]thiophen-3-amine has a molecular weight of 305.31 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]thiophen-3-amine is sourced from PubChem (CID 114915776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).