4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine

C18H27F2N3S — CID 155791914

IUPAC4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine
SMILESNC1CCC(CCN2CCc3sc(C4CC(F)(F)C4)nc3C2)CC1
InChIInChI=1S/C18H27F2N3S/c19-18(20)9-13(10-18)17-22-15-11-23(8-6-16(15)24-17)7-5-12-1-3-14(21)4-2-12/h12-14H,1-11,21H2
InChIKeyHXDGPNRTJYNGHC-UHFFFAOYSA-N
MW355.50 g/mol
LogP3.92
Rot. Bonds4

About 4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine

4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine (PubChem CID 155791914) has the molecular formula C18H27F2N3S and a molecular weight of 355.50 g/mol. Its IUPAC name is 4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine
PubChem CID155791914
Molecular FormulaC18H27F2N3S
Molecular Weight355.50 g/mol
Exact Mass355.19
IUPAC Name4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine
SMILESNC1CCC(CCN2CCc3sc(C4CC(F)(F)C4)nc3C2)CC1
InChIInChI=1S/C18H27F2N3S/c19-18(20)9-13(10-18)17-22-15-11-23(8-6-16(15)24-17)7-5-12-1-3-14(21)4-2-12/h12-14H,1-11,21H2
InChIKeyHXDGPNRTJYNGHC-UHFFFAOYSA-N
XLogP3.92
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine?
The IUPAC name of 4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine (CID 155791914) is 4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine is NC1CCC(CCN2CCc3sc(C4CC(F)(F)C4)nc3C2)CC1.
What is the InChIKey of 4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine?
The InChIKey is HXDGPNRTJYNGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N3S/c19-18(20)9-13(10-18)17-22-15-11-23(8-6-16(15)24-17)7-5-12-1-3-14(21)4-2-12/h12-14H,1-11,21H2.
What are the key properties of 4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine?
4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine has a molecular weight of 355.50 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 155791914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).