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

C10H12F3N3OS — CID 155155071

IUPACN-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine-3-carboxamide
SMILESO=C(NCCC(F)(F)F)c1nsc2c1CNCC2
InChIInChI=1S/C10H12F3N3OS/c11-10(12,13)2-4-15-9(17)8-6-5-14-3-1-7(6)18-16-8/h14H,1-5H2,(H,15,17)
InChIKeyVXGLHYKLPWFMGP-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.47
Rot. Bonds3

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

N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 155155071) has the molecular formula C10H12F3N3OS and a molecular weight of 279.29 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine-3-carboxamide
PubChem CID155155071
Molecular FormulaC10H12F3N3OS
Molecular Weight279.29 g/mol
Exact Mass279.07
IUPAC NameN-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine-3-carboxamide
SMILESO=C(NCCC(F)(F)F)c1nsc2c1CNCC2
InChIInChI=1S/C10H12F3N3OS/c11-10(12,13)2-4-15-9(17)8-6-5-14-3-1-7(6)18-16-8/h14H,1-5H2,(H,15,17)
InChIKeyVXGLHYKLPWFMGP-UHFFFAOYSA-N
XLogP1.47
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine-3-carboxamide (CID 155155071) is 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 N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine-3-carboxamide is O=C(NCCC(F)(F)F)c1nsc2c1CNCC2.
What is the InChIKey of N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is VXGLHYKLPWFMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3OS/c11-10(12,13)2-4-15-9(17)8-6-5-14-3-1-7(6)18-16-8/h14H,1-5H2,(H,15,17).
What are the key properties of N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine-3-carboxamide?
N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 279.29 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 155155071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).