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

C22H20N4O3S — CID 24515758

IUPAC1-methyl-N'-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]indole-3-carbohydrazide
SMILESCc1nc(COc2ccccc2C(=O)NNC(=O)c2cn(C)c3ccccc23)cs1
InChIInChI=1S/C22H20N4O3S/c1-14-23-15(13-30-14)12-29-20-10-6-4-8-17(20)21(27)24-25-22(28)18-11-26(2)19-9-5-3-7-16(18)19/h3-11,13H,12H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyVETZVRYXCQCJEM-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.60
Rot. Bonds5

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

1-methyl-N'-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]indole-3-carbohydrazide (PubChem CID 24515758) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is 1-methyl-N'-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]indole-3-carbohydrazide.

Molecular Properties

Compound Name1-methyl-N'-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]indole-3-carbohydrazide
PubChem CID24515758
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC Name1-methyl-N'-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]indole-3-carbohydrazide
SMILESCc1nc(COc2ccccc2C(=O)NNC(=O)c2cn(C)c3ccccc23)cs1
InChIInChI=1S/C22H20N4O3S/c1-14-23-15(13-30-14)12-29-20-10-6-4-8-17(20)21(27)24-25-22(28)18-11-26(2)19-9-5-3-7-16(18)19/h3-11,13H,12H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyVETZVRYXCQCJEM-UHFFFAOYSA-N
XLogP3.60
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.60
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

2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-prop-2-ynylbenzamide
CID 24641781
N-[(2-methoxyphenyl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9404884
N-[(2-chlorophenyl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9401470
N-(4-carbamoylphenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 17497709
2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-phenylprop-2-ynyl)benzamide
CID 24646797
ethyl 2-[2-[[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 24599388
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 8732248
2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 24642515
2-(1-methylindol-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 47078967
2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 9043710
[2-(cyclopropylamino)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 8731788
N-(4-methylphenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide
CID 24517627

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N'-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]indole-3-carbohydrazide?
The IUPAC name of 1-methyl-N'-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]indole-3-carbohydrazide (CID 24515758) is 1-methyl-N'-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]indole-3-carbohydrazide.
What is the SMILES notation for 1-methyl-N'-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]indole-3-carbohydrazide?
The canonical SMILES for 1-methyl-N'-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]indole-3-carbohydrazide is Cc1nc(COc2ccccc2C(=O)NNC(=O)c2cn(C)c3ccccc23)cs1.
What is the InChIKey of 1-methyl-N'-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]indole-3-carbohydrazide?
The InChIKey is VETZVRYXCQCJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-14-23-15(13-30-14)12-29-20-10-6-4-8-17(20)21(27)24-25-22(28)18-11-26(2)19-9-5-3-7-16(18)19/h3-11,13H,12H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 1-methyl-N'-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]indole-3-carbohydrazide?
1-methyl-N'-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]indole-3-carbohydrazide has a molecular weight of 420.49 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N'-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]indole-3-carbohydrazide is sourced from PubChem (CID 24515758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).