2-[(4-chlorophenoxy)methyl]-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide

C21H17ClN4O3S — CID 134061924

IUPAC2-[(4-chlorophenoxy)methyl]-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(COc2ccc(Cl)cc2)sc1C(=O)NNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C21H17ClN4O3S/c1-12-19(30-18(24-12)11-29-14-8-6-13(22)7-9-14)21(28)26-25-20(27)16-10-23-17-5-3-2-4-15(16)17/h2-10,23H,11H2,1H3,(H,25,27)(H,26,28)
InChIKeyZCUVSUSOYDPAQK-UHFFFAOYSA-N
MW440.91 g/mol
LogP4.24
Rot. Bonds5

About 2-[(4-chlorophenoxy)methyl]-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide

2-[(4-chlorophenoxy)methyl]-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide (PubChem CID 134061924) has the molecular formula C21H17ClN4O3S and a molecular weight of 440.91 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide
PubChem CID134061924
Molecular FormulaC21H17ClN4O3S
Molecular Weight440.91 g/mol
Exact Mass440.07
IUPAC Name2-[(4-chlorophenoxy)methyl]-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(COc2ccc(Cl)cc2)sc1C(=O)NNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C21H17ClN4O3S/c1-12-19(30-18(24-12)11-29-14-8-6-13(22)7-9-14)21(28)26-25-20(27)16-10-23-17-5-3-2-4-15(16)17/h2-10,23H,11H2,1H3,(H,25,27)(H,26,28)
InChIKeyZCUVSUSOYDPAQK-UHFFFAOYSA-N
XLogP4.24
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.91
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 24513912
N-[(4-chlorophenyl)methyl]-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28936066
2-(4-ethylphenyl)-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 24513901
N-[2-[(4-chlorobenzoyl)amino]ethyl]-2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55546254
2-[(4-chlorophenoxy)methyl]-4-methyl-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 51962865
N'-[2-(4-ethoxyphenoxy)acetyl]-1H-indole-3-carbohydrazide
CID 30455658
2-[(4-chlorophenoxy)methyl]-4-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 52658941
N-(2,3-dichlorophenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 31071480
2-[[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-methoxybutanoic acid
CID 120703125
2-[(4-chlorophenoxy)methyl]-4-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide
CID 55652172
2-[(4-chlorophenoxy)methyl]-4-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 55817726
N-(4-methoxyphenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935560

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide (CID 134061924) is 2-[(4-chlorophenoxy)methyl]-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide is Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NNC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is ZCUVSUSOYDPAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O3S/c1-12-19(30-18(24-12)11-29-14-8-6-13(22)7-9-14)21(28)26-25-20(27)16-10-23-17-5-3-2-4-15(16)17/h2-10,23H,11H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 2-[(4-chlorophenoxy)methyl]-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide?
2-[(4-chlorophenoxy)methyl]-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 440.91 g/mol, XLogP of 4.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 134061924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).