N'-benzoyl-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide

C15H17N3O3S — CID 24980425

IUPACN'-benzoyl-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide
SMILESCC12CCC(=O)N1C(C(=O)NNC(=O)c1ccccc1)CS2
InChIInChI=1S/C15H17N3O3S/c1-15-8-7-12(19)18(15)11(9-22-15)14(21)17-16-13(20)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,16,20)(H,17,21)
InChIKeyPKZTYOCHIZEWDT-UHFFFAOYSA-N
MW319.39 g/mol
LogP0.90
Rot. Bonds2

About N'-benzoyl-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide

N'-benzoyl-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide (PubChem CID 24980425) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N'-benzoyl-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide
PubChem CID24980425
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC NameN'-benzoyl-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide
SMILESCC12CCC(=O)N1C(C(=O)NNC(=O)c1ccccc1)CS2
InChIInChI=1S/C15H17N3O3S/c1-15-8-7-12(19)18(15)11(9-22-15)14(21)17-16-13(20)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,16,20)(H,17,21)
InChIKeyPKZTYOCHIZEWDT-UHFFFAOYSA-N
XLogP0.90
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-(2-methylpropyl)-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 17577040
3-((2S,4S)-4-benzoylamino-2-pyrrolidinylcarbonyl)-1,3-thiazolidine
CID 44422486
(3R)-2,2-dimethyl-5-oxo-N-[(2S)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 17578070
7a-methyl-N'-(4-methylbenzoyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide
CID 24979127
N'-(2-chlorobenzoyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide
CID 25162278
N-[1-(2-benzoylhydrazinyl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 4797791
(3R)-5-oxo-N-(propan-2-yl)-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 17576455
(3R)-N-cyclopropyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 17576492
(3R)-2,2-dimethyl-5-oxo-N-(prop-2-en-1-yl)-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 17576499
(3R)-2,2-dimethyl-5-oxo-N-(propan-2-yl)-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 17576650
(3R)-N-cyclohexyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 17576705
(3R)-N-(butan-2-yl)-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 17576840

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide?
The IUPAC name of N'-benzoyl-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide (CID 24980425) is N'-benzoyl-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide.
What is the SMILES notation for N'-benzoyl-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide?
The canonical SMILES for N'-benzoyl-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide is CC12CCC(=O)N1C(C(=O)NNC(=O)c1ccccc1)CS2.
What is the InChIKey of N'-benzoyl-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide?
The InChIKey is PKZTYOCHIZEWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-15-8-7-12(19)18(15)11(9-22-15)14(21)17-16-13(20)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,16,20)(H,17,21).
What are the key properties of N'-benzoyl-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide?
N'-benzoyl-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide has a molecular weight of 319.39 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide is sourced from PubChem (CID 24980425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).