6-(2-cyclohexylethyl)-2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-4-ol

C18H28F2N2O2S — CID 145451865

IUPAC6-(2-cyclohexylethyl)-2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-4-ol
SMILESCC(F)(F)COc1nc2c(s1)CCN(CCC1CCCCC1)CC2O
InChIInChI=1S/C18H28F2N2O2S/c1-18(19,20)12-24-17-21-16-14(23)11-22(10-8-15(16)25-17)9-7-13-5-3-2-4-6-13/h13-14,23H,2-12H2,1H3
InChIKeyUOXZNPLKLMWMOJ-UHFFFAOYSA-N
MW374.50 g/mol
LogP4.04
Rot. Bonds6

About 6-(2-cyclohexylethyl)-2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-4-ol

6-(2-cyclohexylethyl)-2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-4-ol (PubChem CID 145451865) has the molecular formula C18H28F2N2O2S and a molecular weight of 374.50 g/mol. Its IUPAC name is 6-(2-cyclohexylethyl)-2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-4-ol.

Molecular Properties

Compound Name6-(2-cyclohexylethyl)-2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-4-ol
PubChem CID145451865
Molecular FormulaC18H28F2N2O2S
Molecular Weight374.50 g/mol
Exact Mass374.18
IUPAC Name6-(2-cyclohexylethyl)-2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-4-ol
SMILESCC(F)(F)COc1nc2c(s1)CCN(CCC1CCCCC1)CC2O
InChIInChI=1S/C18H28F2N2O2S/c1-18(19,20)12-24-17-21-16-14(23)11-22(10-8-15(16)25-17)9-7-13-5-3-2-4-6-13/h13-14,23H,2-12H2,1H3
InChIKeyUOXZNPLKLMWMOJ-UHFFFAOYSA-N
XLogP4.04
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.50
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclohexylethyl)-2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-4-ol?
The IUPAC name of 6-(2-cyclohexylethyl)-2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-4-ol (CID 145451865) is 6-(2-cyclohexylethyl)-2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-4-ol.
What is the SMILES notation for 6-(2-cyclohexylethyl)-2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-4-ol?
The canonical SMILES for 6-(2-cyclohexylethyl)-2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-4-ol is CC(F)(F)COc1nc2c(s1)CCN(CCC1CCCCC1)CC2O.
What is the InChIKey of 6-(2-cyclohexylethyl)-2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-4-ol?
The InChIKey is UOXZNPLKLMWMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F2N2O2S/c1-18(19,20)12-24-17-21-16-14(23)11-22(10-8-15(16)25-17)9-7-13-5-3-2-4-6-13/h13-14,23H,2-12H2,1H3.
What are the key properties of 6-(2-cyclohexylethyl)-2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-4-ol?
6-(2-cyclohexylethyl)-2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-4-ol has a molecular weight of 374.50 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclohexylethyl)-2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-4-ol is sourced from PubChem (CID 145451865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).