4-methyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)-3H-1,3-thiazol-2-one

C14H16N2O3S2 — CID 63153928

IUPAC4-methyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CCCc2ccccc2C1
InChIInChI=1S/C14H16N2O3S2/c1-10-13(20-14(17)15-10)21(18,19)16-8-4-7-11-5-2-3-6-12(11)9-16/h2-3,5-6H,4,7-9H2,1H3,(H,15,17)
InChIKeyUGQLGUKMGOYBFR-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.88
Rot. Bonds2

About 4-methyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)-3H-1,3-thiazol-2-one

4-methyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)-3H-1,3-thiazol-2-one (PubChem CID 63153928) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-methyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)-3H-1,3-thiazol-2-one
PubChem CID63153928
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name4-methyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CCCc2ccccc2C1
InChIInChI=1S/C14H16N2O3S2/c1-10-13(20-14(17)15-10)21(18,19)16-8-4-7-11-5-2-3-6-12(11)9-16/h2-3,5-6H,4,7-9H2,1H3,(H,15,17)
InChIKeyUGQLGUKMGOYBFR-UHFFFAOYSA-N
XLogP1.88
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)-3H-1,3-thiazol-2-one with MolForge

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Related Compounds

4-methyl-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one
CID 60724712
2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)phenol
CID 81233802
4-methyl-5-(3-phenylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one
CID 62131249
2-(4-bromophenyl)sulfonyl-1,3,4,5-tetrahydro-2-benzazepine
CID 63158077
5-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
CID 16616013
4-methyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,3-thiazole-5-sulfonamide
CID 60724039
4-methyl-5-[4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
CID 16615899
2-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3,4,5-tetrahydro-2-benzazepine
CID 103300054
2-piperidin-4-ylsulfonyl-1,3,4,5-tetrahydro-2-benzazepine
CID 63153494
N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 107854418
5-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
CID 18288944
4-methyl-5-[4-[(2R)-2-phenyl-2-phenylsulfanylacetyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
CID 26262701

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)-3H-1,3-thiazol-2-one (CID 63153928) is 4-methyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)-3H-1,3-thiazol-2-one is Cc1[nH]c(=O)sc1S(=O)(=O)N1CCCc2ccccc2C1.
What is the InChIKey of 4-methyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)-3H-1,3-thiazol-2-one?
The InChIKey is UGQLGUKMGOYBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-10-13(20-14(17)15-10)21(18,19)16-8-4-7-11-5-2-3-6-12(11)9-16/h2-3,5-6H,4,7-9H2,1H3,(H,15,17).
What are the key properties of 4-methyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)-3H-1,3-thiazol-2-one?
4-methyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)-3H-1,3-thiazol-2-one has a molecular weight of 324.43 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 63153928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).