N-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)benzamide

C16H17N3O2S — CID 977380

IUPACN-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)benzamide
SMILESCC1(C)CNC(=O)c2sc(NC(=O)c3ccccc3)nc2C1
InChIInChI=1S/C16H17N3O2S/c1-16(2)8-11-12(14(21)17-9-16)22-15(18-11)19-13(20)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyRCCMCGBQXZHEHI-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.71
Rot. Bonds2

About N-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)benzamide

N-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)benzamide (PubChem CID 977380) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)benzamide.

Molecular Properties

Compound NameN-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)benzamide
PubChem CID977380
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)benzamide
SMILESCC1(C)CNC(=O)c2sc(NC(=O)c3ccccc3)nc2C1
InChIInChI=1S/C16H17N3O2S/c1-16(2)8-11-12(14(21)17-9-16)22-15(18-11)19-13(20)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyRCCMCGBQXZHEHI-UHFFFAOYSA-N
XLogP2.71
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)benzamide with MolForge

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Related Compounds

2-(Benzoylamino)-4-methyl-n-(2,4,6-trimethylphenyl)-5-thiazolecarboxamide
CID 21911517
Nvs-PI3-4
CID 23585510
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-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-tert-butylbenzamide
CID 733782
N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide
CID 809483
N-{[(4,5-dimethyl-1,3-thiazol-2-yl)amino]carbonothioyl}benzamide
CID 782768
2-(benzylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 2440658
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methylbenzamide
CID 3893580
{[2-(2-Fluoro-benzoylamino)-4-methyl-thiazole-5-carbonyl]-amino}-acetic acid ethyl ester
CID 655688
N-(5-Acetyl-4-methyl-thiazol-2-yl)-4-methyl-benzamide
CID 733899
2-chloro-N-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)benzamide
CID 1089143

Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)benzamide?
The IUPAC name of N-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)benzamide (CID 977380) is N-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)benzamide.
What is the SMILES notation for N-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)benzamide?
The canonical SMILES for N-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)benzamide is CC1(C)CNC(=O)c2sc(NC(=O)c3ccccc3)nc2C1.
What is the InChIKey of N-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)benzamide?
The InChIKey is RCCMCGBQXZHEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-16(2)8-11-12(14(21)17-9-16)22-15(18-11)19-13(20)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,17,21)(H,18,19,20).
What are the key properties of N-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)benzamide?
N-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)benzamide has a molecular weight of 315.40 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)benzamide is sourced from PubChem (CID 977380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).