N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide

C15H13F2N3O2S2 — CID 25163250

IUPACN-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
SMILESCc1noc(C)c1CSCC(=O)Nc1nc2c(F)cc(F)cc2s1
InChIInChI=1S/C15H13F2N3O2S2/c1-7-10(8(2)22-20-7)5-23-6-13(21)18-15-19-14-11(17)3-9(16)4-12(14)24-15/h3-4H,5-6H2,1-2H3,(H,18,19,21)
InChIKeyWCVJYOKIOFSCFA-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.05
Rot. Bonds5

About N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide (PubChem CID 25163250) has the molecular formula C15H13F2N3O2S2 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
PubChem CID25163250
Molecular FormulaC15H13F2N3O2S2
Molecular Weight369.42 g/mol
Exact Mass369.04
IUPAC NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
SMILESCc1noc(C)c1CSCC(=O)Nc1nc2c(F)cc(F)cc2s1
InChIInChI=1S/C15H13F2N3O2S2/c1-7-10(8(2)22-20-7)5-23-6-13(21)18-15-19-14-11(17)3-9(16)4-12(14)24-15/h3-4H,5-6H2,1-2H3,(H,18,19,21)
InChIKeyWCVJYOKIOFSCFA-UHFFFAOYSA-N
XLogP4.05
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide (CID 25163250) is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide is Cc1noc(C)c1CSCC(=O)Nc1nc2c(F)cc(F)cc2s1.
What is the InChIKey of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
The InChIKey is WCVJYOKIOFSCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O2S2/c1-7-10(8(2)22-20-7)5-23-6-13(21)18-15-19-14-11(17)3-9(16)4-12(14)24-15/h3-4H,5-6H2,1-2H3,(H,18,19,21).
What are the key properties of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide has a molecular weight of 369.42 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 25163250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).