N-(2,4-difluorophenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide

C14H12F2N4O2S2 — CID 2054026

IUPACN-(2,4-difluorophenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide
SMILESO=C1CCCN2N=C(SCC(=O)Nc3ccc(F)cc3F)SC2=N1
InChIInChI=1S/C14H12F2N4O2S2/c15-8-3-4-10(9(16)6-8)17-12(22)7-23-14-19-20-5-1-2-11(21)18-13(20)24-14/h3-4,6H,1-2,5,7H2,(H,17,22)
InChIKeyJMXROBQVPVRGQM-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.63
Rot. Bonds3

About N-(2,4-difluorophenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide

N-(2,4-difluorophenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide (PubChem CID 2054026) has the molecular formula C14H12F2N4O2S2 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide
PubChem CID2054026
Molecular FormulaC14H12F2N4O2S2
Molecular Weight370.41 g/mol
Exact Mass370.04
IUPAC NameN-(2,4-difluorophenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide
SMILESO=C1CCCN2N=C(SCC(=O)Nc3ccc(F)cc3F)SC2=N1
InChIInChI=1S/C14H12F2N4O2S2/c15-8-3-4-10(9(16)6-8)17-12(22)7-23-14-19-20-5-1-2-11(21)18-13(20)24-14/h3-4,6H,1-2,5,7H2,(H,17,22)
InChIKeyJMXROBQVPVRGQM-UHFFFAOYSA-N
XLogP2.63
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3-fluorophenyl)acetamide
CID 861423
N-(4-Chlorophenyl)-2-({8-oxo-5H,6H,7H,8H-[1,3,4]thiadiazolo[3,2-A][1,3]diazepin-2-YL}sulfanyl)acetamide
CID 2054027
1-(4-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl N,N'-diethylimidothiocarbamate
CID 2840626
N-(2-fluorophenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 3441571
N-(4-Bromophenyl)-2-({8-oxo-5H,6H,7H,8H-[1,3,4]thiadiazolo[3,2-A][1,3]diazepin-2-YL}sulfanyl)acetamide
CID 5109487
2-(4,5-Dihydro-thiazol-2-ylsulfanyl)-N-(2-fluoro-phenyl)-acetamide
CID 644787
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-fluorophenyl)acetamide
CID 861422
N-(3-Fluorophenyl)-2-({8-oxo-5H,6H,7H,8H-[1,3,4]thiadiazolo[3,2-A][1,3]diazepin-2-YL}sulfanyl)acetamide
CID 2054028
2-({8-Oxo-5H,6H,7H,8H-[1,3,4]thiadiazolo[3,2-A][1,3]diazepin-2-YL}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2059325
N-(4-butylphenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide
CID 2158343
N-(4-nitrophenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide
CID 4419522
N-(3-chlorophenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide
CID 4440741

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide (CID 2054026) is N-(2,4-difluorophenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide is O=C1CCCN2N=C(SCC(=O)Nc3ccc(F)cc3F)SC2=N1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide?
The InChIKey is JMXROBQVPVRGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N4O2S2/c15-8-3-4-10(9(16)6-8)17-12(22)7-23-14-19-20-5-1-2-11(21)18-13(20)24-14/h3-4,6H,1-2,5,7H2,(H,17,22).
What are the key properties of N-(2,4-difluorophenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide?
N-(2,4-difluorophenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide has a molecular weight of 370.41 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2054026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).