carbon dioxide;3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine

C17H10F2N6O2S — CID 161196553

IUPACcarbon dioxide;3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine
SMILESNc1ncc(-c2cccs2)cc1-c1nnnn1-c1cccc(F)c1F.O=C=O
InChIInChI=1S/C16H10F2N6S.CO2/c17-11-3-1-4-12(14(11)18)24-16(21-22-23-24)10-7-9(8-20-15(10)19)13-5-2-6-25-13;2-1-3/h1-8H,(H2,19,20);
InChIKeyUUKOETFMHKNEJB-UHFFFAOYSA-N
MW400.37 g/mol
LogP2.73
Rot. Bonds3

About carbon dioxide;3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine

carbon dioxide;3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine (PubChem CID 161196553) has the molecular formula C17H10F2N6O2S and a molecular weight of 400.37 g/mol. Its IUPAC name is carbon dioxide;3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine.

Molecular Properties

Compound Namecarbon dioxide;3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine
PubChem CID161196553
Molecular FormulaC17H10F2N6O2S
Molecular Weight400.37 g/mol
Exact Mass400.06
IUPAC Namecarbon dioxide;3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine
SMILESNc1ncc(-c2cccs2)cc1-c1nnnn1-c1cccc(F)c1F.O=C=O
InChIInChI=1S/C16H10F2N6S.CO2/c17-11-3-1-4-12(14(11)18)24-16(21-22-23-24)10-7-9(8-20-15(10)19)13-5-2-6-25-13;2-1-3/h1-8H,(H2,19,20);
InChIKeyUUKOETFMHKNEJB-UHFFFAOYSA-N
XLogP2.73
TPSA116.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-(4-Fluorophenyl)-6-(2-thienyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 1474449
4-(5-Thiophen-2-yl-4-p-tolyl-4H-[1,2,4]triazol-3-yl)-pyridine
CID 654415
3-(4-Fluorophenyl)-7-(2-thienyl)pyrazolo[1,5-a]pyrimidine
CID 1472857
4-(4-Phenyl-5-thiophen-2-yl-4H-[1,2,4]triazol-3-yl)-pyridine
CID 648130
5-(1-phenyl-1H-tetraazol-5-yl)-2-(3-pyridinyl)-4-(2-thienyl)pyrimidine
CID 1046840
5-[1-(4-fluorophenyl)-1H-tetraazol-5-yl]-2-(2-thienyl)-4-(trifluoromethyl)pyrimidine
CID 4112227
5-(1-Phenyl-5-tetrazolyl)-2-pyridin-4-yl-4-thiophen-2-ylpyrimidine
CID 7285303
2-[(4-Fluorophenyl)methyl]-7-(thiophen-3-YL)-[1,2,4]triazolo[1,5-A]pyrimidine
CID 75465854
2-[(3,5-Difluorophenyl)methyl]-7-(thiophen-2-YL)-[1,2,4]triazolo[1,5-A]pyrimidine
CID 75465922
2-[(4-Fluorophenyl)methyl]-7-(thiophen-2-YL)-[1,2,4]triazolo[1,5-A]pyrimidine
CID 75465982
2-[5-(2-Fluoro-2-phenylethyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine
CID 176556141
2-[(3,5-Difluorophenyl)methyl]-7-(thiophen-3-YL)-[1,2,4]triazolo[1,5-A]pyrimidine
CID 75465853

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine?
The IUPAC name of carbon dioxide;3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine (CID 161196553) is carbon dioxide;3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine.
What is the SMILES notation for carbon dioxide;3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine?
The canonical SMILES for carbon dioxide;3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine is Nc1ncc(-c2cccs2)cc1-c1nnnn1-c1cccc(F)c1F.O=C=O.
What is the InChIKey of carbon dioxide;3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine?
The InChIKey is UUKOETFMHKNEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N6S.CO2/c17-11-3-1-4-12(14(11)18)24-16(21-22-23-24)10-7-9(8-20-15(10)19)13-5-2-6-25-13;2-1-3/h1-8H,(H2,19,20);.
What are the key properties of carbon dioxide;3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine?
carbon dioxide;3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine has a molecular weight of 400.37 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine is sourced from PubChem (CID 161196553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).