N-[(3,3-difluorocyclobutyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine

C11H15F2N3S — CID 142576166

IUPACN-[(3,3-difluorocyclobutyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
SMILESFC1(F)CC(CNc2nc3c(s2)CNCC3)C1
InChIInChI=1S/C11H15F2N3S/c12-11(13)3-7(4-11)5-15-10-16-8-1-2-14-6-9(8)17-10/h7,14H,1-6H2,(H,15,16)
InChIKeyAWBIRIQLJAIPQT-UHFFFAOYSA-N
MW259.32 g/mol
LogP2.25
Rot. Bonds3

About N-[(3,3-difluorocyclobutyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine

N-[(3,3-difluorocyclobutyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine (PubChem CID 142576166) has the molecular formula C11H15F2N3S and a molecular weight of 259.32 g/mol. Its IUPAC name is N-[(3,3-difluorocyclobutyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine.

Molecular Properties

Compound NameN-[(3,3-difluorocyclobutyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
PubChem CID142576166
Molecular FormulaC11H15F2N3S
Molecular Weight259.32 g/mol
Exact Mass259.10
IUPAC NameN-[(3,3-difluorocyclobutyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
SMILESFC1(F)CC(CNc2nc3c(s2)CNCC3)C1
InChIInChI=1S/C11H15F2N3S/c12-11(13)3-7(4-11)5-15-10-16-8-1-2-14-6-9(8)17-10/h7,14H,1-6H2,(H,15,16)
InChIKeyAWBIRIQLJAIPQT-UHFFFAOYSA-N
XLogP2.25
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3,3-difluorocyclobutyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine with MolForge

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Related Compounds

1-cyclohexyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide
CID 61453927
1,1,1-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide
CID 43593476
2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 63105367
N-[(3,3-difluorocyclobutyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 130834238
N-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 15017642
1-methylsulfonyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide
CID 82842459
1-cyclopropyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 62700616
1-propan-2-yl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 43593383
2-(1-adamantyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 55120633
2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;ethane;methane
CID 160631985
4-methoxy-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pentanamide
CID 113382192
2-(2-methylpropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 62549795

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine (CID 142576166) is N-[(3,3-difluorocyclobutyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine.
What is the SMILES notation for N-[(3,3-difluorocyclobutyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The canonical SMILES for N-[(3,3-difluorocyclobutyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine is FC1(F)CC(CNc2nc3c(s2)CNCC3)C1.
What is the InChIKey of N-[(3,3-difluorocyclobutyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The InChIKey is AWBIRIQLJAIPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3S/c12-11(13)3-7(4-11)5-15-10-16-8-1-2-14-6-9(8)17-10/h7,14H,1-6H2,(H,15,16).
What are the key properties of N-[(3,3-difluorocyclobutyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine?
N-[(3,3-difluorocyclobutyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine has a molecular weight of 259.32 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclobutyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine is sourced from PubChem (CID 142576166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).