4-bromo-1-methyl-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]pyrrole-2-carbohydrazide

C18H17BrN4O3S — CID 24533009

IUPAC4-bromo-1-methyl-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]pyrrole-2-carbohydrazide
SMILESCc1nc(COc2ccc(C(=O)NNC(=O)c3cc(Br)cn3C)cc2)cs1
InChIInChI=1S/C18H17BrN4O3S/c1-11-20-14(10-27-11)9-26-15-5-3-12(4-6-15)17(24)21-22-18(25)16-7-13(19)8-23(16)2/h3-8,10H,9H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyDUAHNEADSMAOPT-UHFFFAOYSA-N
MW449.33 g/mol
LogP3.21
Rot. Bonds5

About 4-bromo-1-methyl-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]pyrrole-2-carbohydrazide

4-bromo-1-methyl-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]pyrrole-2-carbohydrazide (PubChem CID 24533009) has the molecular formula C18H17BrN4O3S and a molecular weight of 449.33 g/mol. Its IUPAC name is 4-bromo-1-methyl-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-1-methyl-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]pyrrole-2-carbohydrazide
PubChem CID24533009
Molecular FormulaC18H17BrN4O3S
Molecular Weight449.33 g/mol
Exact Mass448.02
IUPAC Name4-bromo-1-methyl-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]pyrrole-2-carbohydrazide
SMILESCc1nc(COc2ccc(C(=O)NNC(=O)c3cc(Br)cn3C)cc2)cs1
InChIInChI=1S/C18H17BrN4O3S/c1-11-20-14(10-27-11)9-26-15-5-3-12(4-6-15)17(24)21-22-18(25)16-7-13(19)8-23(16)2/h3-8,10H,9H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyDUAHNEADSMAOPT-UHFFFAOYSA-N
XLogP3.21
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.33
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]benzohydrazide
CID 34253937
N-(1-methylpyrazol-3-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 16622072
N-(4-methoxyphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043458
N-methyl-4-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzamide
CID 9158663
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide
CID 27700367
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-piperidin-1-ylethyl)benzamide
CID 55723522
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide
CID 9078380
4-bromo-N'-(4-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide
CID 27036737
N-[(4-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9046820
N-benzyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043200
N-(2,3-dihydro-1H-inden-5-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9047146
N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzohydrazide
CID 9323740

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]pyrrole-2-carbohydrazide?
The IUPAC name of 4-bromo-1-methyl-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]pyrrole-2-carbohydrazide (CID 24533009) is 4-bromo-1-methyl-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-bromo-1-methyl-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]pyrrole-2-carbohydrazide?
The canonical SMILES for 4-bromo-1-methyl-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]pyrrole-2-carbohydrazide is Cc1nc(COc2ccc(C(=O)NNC(=O)c3cc(Br)cn3C)cc2)cs1.
What is the InChIKey of 4-bromo-1-methyl-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]pyrrole-2-carbohydrazide?
The InChIKey is DUAHNEADSMAOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O3S/c1-11-20-14(10-27-11)9-26-15-5-3-12(4-6-15)17(24)21-22-18(25)16-7-13(19)8-23(16)2/h3-8,10H,9H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 4-bromo-1-methyl-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]pyrrole-2-carbohydrazide?
4-bromo-1-methyl-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]pyrrole-2-carbohydrazide has a molecular weight of 449.33 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]pyrrole-2-carbohydrazide is sourced from PubChem (CID 24533009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).