3-(difluoromethylsulfanyl)-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]thiophene-2-carboxamide

C18H23F2N3O2S2 — CID 86936641

IUPAC3-(difluoromethylsulfanyl)-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]thiophene-2-carboxamide
SMILESCc1nc(CN2CCC(CNC(=O)c3sccc3SC(F)F)CC2)oc1C
InChIInChI=1S/C18H23F2N3O2S2/c1-11-12(2)25-15(22-11)10-23-6-3-13(4-7-23)9-21-17(24)16-14(5-8-26-16)27-18(19)20/h5,8,13,18H,3-4,6-7,9-10H2,1-2H3,(H,21,24)
InChIKeyQGULBLOMTOVQKM-UHFFFAOYSA-N
MW415.53 g/mol
LogP4.31
Rot. Bonds7

About 3-(difluoromethylsulfanyl)-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]thiophene-2-carboxamide

3-(difluoromethylsulfanyl)-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]thiophene-2-carboxamide (PubChem CID 86936641) has the molecular formula C18H23F2N3O2S2 and a molecular weight of 415.53 g/mol. Its IUPAC name is 3-(difluoromethylsulfanyl)-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(difluoromethylsulfanyl)-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]thiophene-2-carboxamide
PubChem CID86936641
Molecular FormulaC18H23F2N3O2S2
Molecular Weight415.53 g/mol
Exact Mass415.12
IUPAC Name3-(difluoromethylsulfanyl)-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]thiophene-2-carboxamide
SMILESCc1nc(CN2CCC(CNC(=O)c3sccc3SC(F)F)CC2)oc1C
InChIInChI=1S/C18H23F2N3O2S2/c1-11-12(2)25-15(22-11)10-23-6-3-13(4-7-23)9-21-17(24)16-14(5-8-26-16)27-18(19)20/h5,8,13,18H,3-4,6-7,9-10H2,1-2H3,(H,21,24)
InChIKeyQGULBLOMTOVQKM-UHFFFAOYSA-N
XLogP4.31
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsulfanyl)-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 3-(difluoromethylsulfanyl)-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]thiophene-2-carboxamide (CID 86936641) is 3-(difluoromethylsulfanyl)-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-(difluoromethylsulfanyl)-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-(difluoromethylsulfanyl)-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]thiophene-2-carboxamide is Cc1nc(CN2CCC(CNC(=O)c3sccc3SC(F)F)CC2)oc1C.
What is the InChIKey of 3-(difluoromethylsulfanyl)-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]thiophene-2-carboxamide?
The InChIKey is QGULBLOMTOVQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O2S2/c1-11-12(2)25-15(22-11)10-23-6-3-13(4-7-23)9-21-17(24)16-14(5-8-26-16)27-18(19)20/h5,8,13,18H,3-4,6-7,9-10H2,1-2H3,(H,21,24).
What are the key properties of 3-(difluoromethylsulfanyl)-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]thiophene-2-carboxamide?
3-(difluoromethylsulfanyl)-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]thiophene-2-carboxamide has a molecular weight of 415.53 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfanyl)-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 86936641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).