N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide

C17H15F2N3O2S2 — CID 24979991

IUPACN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
SMILESCc1noc(C)c1CSCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C17H15F2N3O2S2/c1-9-12(10(2)24-22-9)6-25-8-16(23)21-17-20-15(7-26-17)11-3-4-13(18)14(19)5-11/h3-5,7H,6,8H2,1-2H3,(H,20,21,23)
InChIKeySPEVPRYBLSFQMH-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.57
Rot. Bonds6

About N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide (PubChem CID 24979991) has the molecular formula C17H15F2N3O2S2 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
PubChem CID24979991
Molecular FormulaC17H15F2N3O2S2
Molecular Weight395.46 g/mol
Exact Mass395.06
IUPAC NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
SMILESCc1noc(C)c1CSCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C17H15F2N3O2S2/c1-9-12(10(2)24-22-9)6-25-8-16(23)21-17-20-15(7-26-17)11-3-4-13(18)14(19)5-11/h3-5,7H,6,8H2,1-2H3,(H,20,21,23)
InChIKeySPEVPRYBLSFQMH-UHFFFAOYSA-N
XLogP4.57
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide (CID 24979991) is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide is Cc1noc(C)c1CSCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
The InChIKey is SPEVPRYBLSFQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2S2/c1-9-12(10(2)24-22-9)6-25-8-16(23)21-17-20-15(7-26-17)11-3-4-13(18)14(19)5-11/h3-5,7H,6,8H2,1-2H3,(H,20,21,23).
What are the key properties of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide has a molecular weight of 395.46 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 24979991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).