3-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-5-phenylpentanamide

C19H22N2O2S — CID 86885284

IUPAC3-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-5-phenylpentanamide
SMILESCC(CCc1ccccc1)CC(=O)Nc1nc2c(s1)C(=O)CCC2
InChIInChI=1S/C19H22N2O2S/c1-13(10-11-14-6-3-2-4-7-14)12-17(23)21-19-20-15-8-5-9-16(22)18(15)24-19/h2-4,6-7,13H,5,8-12H2,1H3,(H,20,21,23)
InChIKeyMKNDPEYDKFQTIX-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.26
Rot. Bonds6

About 3-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-5-phenylpentanamide

3-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-5-phenylpentanamide (PubChem CID 86885284) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 3-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-5-phenylpentanamide.

Molecular Properties

Compound Name3-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-5-phenylpentanamide
PubChem CID86885284
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name3-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-5-phenylpentanamide
SMILESCC(CCc1ccccc1)CC(=O)Nc1nc2c(s1)C(=O)CCC2
InChIInChI=1S/C19H22N2O2S/c1-13(10-11-14-6-3-2-4-7-14)12-17(23)21-19-20-15-8-5-9-16(22)18(15)24-19/h2-4,6-7,13H,5,8-12H2,1H3,(H,20,21,23)
InChIKeyMKNDPEYDKFQTIX-UHFFFAOYSA-N
XLogP4.26
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
CID 2931255
(2R)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-2-(1-oxoisoquinolin-2-yl)propanamide
CID 100742903
(2R)-2-amino-4-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
CID 87753791
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-phenoxypropanamide
CID 3302085
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide
CID 107025680
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2-hydroxyphenyl)propanamide
CID 33039912
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-hydroxypentanamide
CID 79192385
(5S)-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-[[(3R)-3-methylpentanoyl]amino]-7-oxo-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide
CID 42321973
2-(2-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 6466381
7-oxo-N-(2-phenylethyl)-2-(propan-2-ylamino)-4,6-dihydro-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide
CID 118741395
N-[(2S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide
CID 94825571
1-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-3-(3-phenylpropyl)urea
CID 90625563

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-5-phenylpentanamide?
The IUPAC name of 3-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-5-phenylpentanamide (CID 86885284) is 3-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-5-phenylpentanamide.
What is the SMILES notation for 3-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-5-phenylpentanamide?
The canonical SMILES for 3-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-5-phenylpentanamide is CC(CCc1ccccc1)CC(=O)Nc1nc2c(s1)C(=O)CCC2.
What is the InChIKey of 3-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-5-phenylpentanamide?
The InChIKey is MKNDPEYDKFQTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-13(10-11-14-6-3-2-4-7-14)12-17(23)21-19-20-15-8-5-9-16(22)18(15)24-19/h2-4,6-7,13H,5,8-12H2,1H3,(H,20,21,23).
What are the key properties of 3-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-5-phenylpentanamide?
3-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-5-phenylpentanamide has a molecular weight of 342.46 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-5-phenylpentanamide is sourced from PubChem (CID 86885284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).