2-(2,4-difluorophenyl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide

C15H13F2N3O2S — CID 72720028

IUPAC2-(2,4-difluorophenyl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide
SMILESO=C(Cc1ccc(F)cc1F)Nc1nc2c(s1)C(=O)NCCC2
InChIInChI=1S/C15H13F2N3O2S/c16-9-4-3-8(10(17)7-9)6-12(21)20-15-19-11-2-1-5-18-14(22)13(11)23-15/h3-4,7H,1-2,5-6H2,(H,18,22)(H,19,20,21)
InChIKeyXHKWMYHBAUQDRE-UHFFFAOYSA-N
MW337.35 g/mol
LogP2.28
Rot. Bonds3

About 2-(2,4-difluorophenyl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide

2-(2,4-difluorophenyl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide (PubChem CID 72720028) has the molecular formula C15H13F2N3O2S and a molecular weight of 337.35 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide
PubChem CID72720028
Molecular FormulaC15H13F2N3O2S
Molecular Weight337.35 g/mol
Exact Mass337.07
IUPAC Name2-(2,4-difluorophenyl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide
SMILESO=C(Cc1ccc(F)cc1F)Nc1nc2c(s1)C(=O)NCCC2
InChIInChI=1S/C15H13F2N3O2S/c16-9-4-3-8(10(17)7-9)6-12(21)20-15-19-11-2-1-5-18-14(22)13(11)23-15/h3-4,7H,1-2,5-6H2,(H,18,22)(H,19,20,21)
InChIKeyXHKWMYHBAUQDRE-UHFFFAOYSA-N
XLogP2.28
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[(2R)-2-methyl-3-oxo-3-[[(6S)-5-oxo-2,3,6,11-tetrahydro-1H-pyrazolo[1,2-b][2,3]benzodiazepin-6-yl]amino]propyl]-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxamide
CID 162759853
4-methyl-2-(2-methylpropanoylamino)-N-[(2R)-3,3,3-trifluoro-2-[[(6S)-5-oxo-2,3,6,11-tetrahydro-1H-pyrazolo[1,2-b][2,3]benzodiazepin-6-yl]carbamoyl]propyl]-1,3-thiazole-5-carboxamide
CID 162759954
N-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)benzamide
CID 977380
{[2-(2-Fluoro-benzoylamino)-4-methyl-thiazole-5-carbonyl]-amino}-acetic acid ethyl ester
CID 655688
2-chloro-N-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)benzamide
CID 1089143
{[2-(3-Fluoro-benzoylamino)-4-methyl-thiazole-5-carbonyl]-amino}-acetic acid ethyl ester
CID 3193169
N-Benzyl-4-methyl-2-(2-oxo-4-(trifluoromethyl)pyridin-1(2H)-yl)thiazole-5-carboxamide
CID 24983663
N-benzyl-4-methyl-2-(2-oxo-4-phenethylpyridin-1(2H)-yl)thiazole-5-carboxamide
CID 24984128
N-benzyl-4-methyl-2-(2-oxo-4-phenylpyridin-1(2H)-yl)thiazole-5-carboxamide
CID 24984927
2-(4-Amino-2-oxopyridin-1(2H)-yl)-N-benzyl-4-methylthiazole-5-carboxamide
CID 24985270
N-Benzyl-4-methyl-2-(2-oxopyridin-1(2H)-yl)thiazole-5-carboxamide
CID 24985271
2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(4-fluorobenzyl)-4-methylthiazole-5-carboxamide
CID 25094599

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide (CID 72720028) is 2-(2,4-difluorophenyl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide is O=C(Cc1ccc(F)cc1F)Nc1nc2c(s1)C(=O)NCCC2.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide?
The InChIKey is XHKWMYHBAUQDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O2S/c16-9-4-3-8(10(17)7-9)6-12(21)20-15-19-11-2-1-5-18-14(22)13(11)23-15/h3-4,7H,1-2,5-6H2,(H,18,22)(H,19,20,21).
What are the key properties of 2-(2,4-difluorophenyl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide?
2-(2,4-difluorophenyl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide has a molecular weight of 337.35 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide is sourced from PubChem (CID 72720028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).