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

C17H21N3O3S — CID 24979133

IUPACN'-(4-ethylbenzoyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)C2CSC3(C)CCC(=O)N23)cc1
InChIInChI=1S/C17H21N3O3S/c1-3-11-4-6-12(7-5-11)15(22)18-19-16(23)13-10-24-17(2)9-8-14(21)20(13)17/h4-7,13H,3,8-10H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyCDPULXRDBWYMRR-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.46
Rot. Bonds3

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

N'-(4-ethylbenzoyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide (PubChem CID 24979133) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N'-(4-ethylbenzoyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-ethylbenzoyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide
PubChem CID24979133
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN'-(4-ethylbenzoyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)C2CSC3(C)CCC(=O)N23)cc1
InChIInChI=1S/C17H21N3O3S/c1-3-11-4-6-12(7-5-11)15(22)18-19-16(23)13-10-24-17(2)9-8-14(21)20(13)17/h4-7,13H,3,8-10H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyCDPULXRDBWYMRR-UHFFFAOYSA-N
XLogP1.46
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.46
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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Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylbenzoyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide?
The IUPAC name of N'-(4-ethylbenzoyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide (CID 24979133) is N'-(4-ethylbenzoyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide.
What is the SMILES notation for N'-(4-ethylbenzoyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide?
The canonical SMILES for N'-(4-ethylbenzoyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide is CCc1ccc(C(=O)NNC(=O)C2CSC3(C)CCC(=O)N23)cc1.
What is the InChIKey of N'-(4-ethylbenzoyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide?
The InChIKey is CDPULXRDBWYMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-3-11-4-6-12(7-5-11)15(22)18-19-16(23)13-10-24-17(2)9-8-14(21)20(13)17/h4-7,13H,3,8-10H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of N'-(4-ethylbenzoyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide?
N'-(4-ethylbenzoyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide has a molecular weight of 347.44 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylbenzoyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide is sourced from PubChem (CID 24979133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).