N-[[4-(difluoromethoxy)phenyl]methyl]-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide

C18H18F2N4O3S2 — CID 39974784

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide
SMILESCc1nc(C)c(-c2nnc(SCC(=O)N(C)Cc3ccc(OC(F)F)cc3)o2)s1
InChIInChI=1S/C18H18F2N4O3S2/c1-10-15(29-11(2)21-10)16-22-23-18(27-16)28-9-14(25)24(3)8-12-4-6-13(7-5-12)26-17(19)20/h4-7,17H,8-9H2,1-3H3
InChIKeyRQEHMZBEJMFQMV-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.16
Rot. Bonds8

About N-[[4-(difluoromethoxy)phenyl]methyl]-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide

N-[[4-(difluoromethoxy)phenyl]methyl]-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide (PubChem CID 39974784) has the molecular formula C18H18F2N4O3S2 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide
PubChem CID39974784
Molecular FormulaC18H18F2N4O3S2
Molecular Weight440.50 g/mol
Exact Mass440.08
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide
SMILESCc1nc(C)c(-c2nnc(SCC(=O)N(C)Cc3ccc(OC(F)F)cc3)o2)s1
InChIInChI=1S/C18H18F2N4O3S2/c1-10-15(29-11(2)21-10)16-22-23-18(27-16)28-9-14(25)24(3)8-12-4-6-13(7-5-12)26-17(19)20/h4-7,17H,8-9H2,1-3H3
InChIKeyRQEHMZBEJMFQMV-UHFFFAOYSA-N
XLogP4.16
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide (CID 39974784) is N-[[4-(difluoromethoxy)phenyl]methyl]-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide is Cc1nc(C)c(-c2nnc(SCC(=O)N(C)Cc3ccc(OC(F)F)cc3)o2)s1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide?
The InChIKey is RQEHMZBEJMFQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O3S2/c1-10-15(29-11(2)21-10)16-22-23-18(27-16)28-9-14(25)24(3)8-12-4-6-13(7-5-12)26-17(19)20/h4-7,17H,8-9H2,1-3H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide has a molecular weight of 440.50 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide is sourced from PubChem (CID 39974784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).