7a-methyl-N'-(4-methylbenzoyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide

C16H19N3O3S — CID 24979127

IUPAC7a-methyl-N'-(4-methylbenzoyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C2CSC3(C)CCC(=O)N23)cc1
InChIInChI=1S/C16H19N3O3S/c1-10-3-5-11(6-4-10)14(21)17-18-15(22)12-9-23-16(2)8-7-13(20)19(12)16/h3-6,12H,7-9H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyAZIQOMGJNXKMLO-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.21
Rot. Bonds2

About 7a-methyl-N'-(4-methylbenzoyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide

7a-methyl-N'-(4-methylbenzoyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide (PubChem CID 24979127) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 7a-methyl-N'-(4-methylbenzoyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide.

Molecular Properties

Compound Name7a-methyl-N'-(4-methylbenzoyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide
PubChem CID24979127
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name7a-methyl-N'-(4-methylbenzoyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C2CSC3(C)CCC(=O)N23)cc1
InChIInChI=1S/C16H19N3O3S/c1-10-3-5-11(6-4-10)14(21)17-18-15(22)12-9-23-16(2)8-7-13(20)19(12)16/h3-6,12H,7-9H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyAZIQOMGJNXKMLO-UHFFFAOYSA-N
XLogP1.21
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.21
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

CID 17577040
CID 17577040
CID 25162278
CID 25162278
CID 4788960
CID 4788960
CID 17576455
CID 17576455
CID 17576499
CID 17576499
CID 17576650
CID 17576650
CID 17576840
CID 17576840
CID 17576845
CID 17576845
CID 16401309
CID 16401309
CID 24978799
CID 24978799
CID 24979133
CID 24979133
CID 25162254
CID 25162254

Frequently Asked Questions

What is the IUPAC name of 7a-methyl-N'-(4-methylbenzoyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide?
The IUPAC name of 7a-methyl-N'-(4-methylbenzoyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide (CID 24979127) is 7a-methyl-N'-(4-methylbenzoyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide.
What is the SMILES notation for 7a-methyl-N'-(4-methylbenzoyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide?
The canonical SMILES for 7a-methyl-N'-(4-methylbenzoyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide is Cc1ccc(C(=O)NNC(=O)C2CSC3(C)CCC(=O)N23)cc1.
What is the InChIKey of 7a-methyl-N'-(4-methylbenzoyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide?
The InChIKey is AZIQOMGJNXKMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-10-3-5-11(6-4-10)14(21)17-18-15(22)12-9-23-16(2)8-7-13(20)19(12)16/h3-6,12H,7-9H2,1-2H3,(H,17,21)(H,18,22).
What are the key properties of 7a-methyl-N'-(4-methylbenzoyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide?
7a-methyl-N'-(4-methylbenzoyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide has a molecular weight of 333.41 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-N'-(4-methylbenzoyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide is sourced from PubChem (CID 24979127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).