ethane;N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine-3-carboxamide

C12H18F3N3OS — CID 155701893

IUPACethane;N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine-3-carboxamide
SMILESCC.O=C(NCCC(F)(F)F)c1nsc2c1CNCC2
InChIInChI=1S/C10H12F3N3OS.C2H6/c11-10(12,13)2-4-15-9(17)8-6-5-14-3-1-7(6)18-16-8;1-2/h14H,1-5H2,(H,15,17);1-2H3
InChIKeyTVYHLWHZQOWTFX-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.50
Rot. Bonds3

About ethane;N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine-3-carboxamide

ethane;N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 155701893) has the molecular formula C12H18F3N3OS and a molecular weight of 309.36 g/mol. Its IUPAC name is ethane;N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound Nameethane;N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine-3-carboxamide
PubChem CID155701893
Molecular FormulaC12H18F3N3OS
Molecular Weight309.36 g/mol
Exact Mass309.11
IUPAC Nameethane;N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine-3-carboxamide
SMILESCC.O=C(NCCC(F)(F)F)c1nsc2c1CNCC2
InChIInChI=1S/C10H12F3N3OS.C2H6/c11-10(12,13)2-4-15-9(17)8-6-5-14-3-1-7(6)18-16-8;1-2/h14H,1-5H2,(H,15,17);1-2H3
InChIKeyTVYHLWHZQOWTFX-UHFFFAOYSA-N
XLogP2.50
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethane;N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine-3-carboxamide with MolForge

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Related Compounds

N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine-3-carboxamide
CID 155155071
tert-butyl 3-(3,3,3-trifluoropropylcarbamoyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-5-carboxylate
CID 155155147
tert-butyl 3-[2-(3,3,3-trifluoropropylamino)acetyl]-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-5-carboxylate
CID 155155194
3-ethyl-4-methyl-N-propan-2-yl-1,2-thiazole-5-carboxamide
CID 21616753
N-methyl-4,5,6,7-tetrahydro-[1,2]thiazolo[5,4-c]pyridine-3-carboxamide
CID 139310892
4-Amino-3,6-dimethyl-4,5-dihydro-[1,2]thiazolo[5,4-c]pyridin-7-one
CID 82398796
4-amino-3-methyl-5,6-dihydro-4H-[1,2]thiazolo[5,4-c]pyridin-7-one
CID 82407132
N-cyclohexyl-5-ethyl-4-methyl-1,2-thiazole-3-carboxamide
CID 167514149

Frequently Asked Questions

What is the IUPAC name of ethane;N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of ethane;N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine-3-carboxamide (CID 155701893) is ethane;N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine-3-carboxamide.
What is the SMILES notation for ethane;N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for ethane;N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine-3-carboxamide is CC.O=C(NCCC(F)(F)F)c1nsc2c1CNCC2.
What is the InChIKey of ethane;N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is TVYHLWHZQOWTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3OS.C2H6/c11-10(12,13)2-4-15-9(17)8-6-5-14-3-1-7(6)18-16-8;1-2/h14H,1-5H2,(H,15,17);1-2H3.
What are the key properties of ethane;N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine-3-carboxamide?
ethane;N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 309.36 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 155701893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).