N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C19H12F2N4O2S2 — CID 2097126

IUPACN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccccc2)o1)Nc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C19H12F2N4O2S2/c20-13-7-6-12(8-14(13)21)15-9-28-18(22-15)23-16(26)10-29-19-25-24-17(27-19)11-4-2-1-3-5-11/h1-9H,10H2,(H,22,23,26)
InChIKeyAWVNSCWJXLSESR-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.87
Rot. Bonds6

About N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 2097126) has the molecular formula C19H12F2N4O2S2 and a molecular weight of 430.46 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID2097126
Molecular FormulaC19H12F2N4O2S2
Molecular Weight430.46 g/mol
Exact Mass430.04
IUPAC NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccccc2)o1)Nc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C19H12F2N4O2S2/c20-13-7-6-12(8-14(13)21)15-9-28-18(22-15)23-16(26)10-29-19-25-24-17(27-19)11-4-2-1-3-5-11/h1-9H,10H2,(H,22,23,26)
InChIKeyAWVNSCWJXLSESR-UHFFFAOYSA-N
XLogP4.87
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 2097126) is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nnc(-c2ccccc2)o1)Nc1nc(-c2ccc(F)c(F)c2)cs1.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is AWVNSCWJXLSESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N4O2S2/c20-13-7-6-12(8-14(13)21)15-9-28-18(22-15)23-16(26)10-29-19-25-24-17(27-19)11-4-2-1-3-5-11/h1-9H,10H2,(H,22,23,26).
What are the key properties of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 430.46 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2097126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).