N'-[2-(6-chloroindol-1-yl)acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide

C19H20ClN5O3S — CID 60566615

IUPACN'-[2-(6-chloroindol-1-yl)acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NNC(=O)Cn1ccc2ccc(Cl)cc21
InChIInChI=1S/C19H20ClN5O3S/c1-12-17(29-19(21-12)24-6-8-28-9-7-24)18(27)23-22-16(26)11-25-5-4-13-2-3-14(20)10-15(13)25/h2-5,10H,6-9,11H2,1H3,(H,22,26)(H,23,27)
InChIKeySLWGVCDYTDLYOH-UHFFFAOYSA-N
MW433.92 g/mol
LogP2.36
Rot. Bonds4

About N'-[2-(6-chloroindol-1-yl)acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide

N'-[2-(6-chloroindol-1-yl)acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide (PubChem CID 60566615) has the molecular formula C19H20ClN5O3S and a molecular weight of 433.92 g/mol. Its IUPAC name is N'-[2-(6-chloroindol-1-yl)acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(6-chloroindol-1-yl)acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
PubChem CID60566615
Molecular FormulaC19H20ClN5O3S
Molecular Weight433.92 g/mol
Exact Mass433.10
IUPAC NameN'-[2-(6-chloroindol-1-yl)acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NNC(=O)Cn1ccc2ccc(Cl)cc21
InChIInChI=1S/C19H20ClN5O3S/c1-12-17(29-19(21-12)24-6-8-28-9-7-24)18(27)23-22-16(26)11-25-5-4-13-2-3-14(20)10-15(13)25/h2-5,10H,6-9,11H2,1H3,(H,22,26)(H,23,27)
InChIKeySLWGVCDYTDLYOH-UHFFFAOYSA-N
XLogP2.36
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.92
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-chlorophenyl)acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 25445255
2,4-dichloro-N-[2-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 25447062
4-methyl-N'-[2-(4-methylphenyl)acetyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 17446856
5-(4-chlorophenyl)-N'-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-1,2-oxazole-3-carbohydrazide
CID 24665740
4-methyl-2-morpholin-4-yl-N'-(2-phenoxyacetyl)-1,3-thiazole-5-carbohydrazide
CID 26554798
N'-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 24553616
N'-[3-(2-bromophenyl)propanoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 55821814
4-methyl-2-morpholin-4-yl-N'-(thiophene-3-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 25446747
N'-(3-chloro-1-benzothiophene-2-carbonyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 25446089
4-methyl-N'-(5-methylfuran-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 25444482
N'-[3-(3-methoxyphenyl)propanoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 24543209
N'-[2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 30599265

Frequently Asked Questions

What is the IUPAC name of N'-[2-(6-chloroindol-1-yl)acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-[2-(6-chloroindol-1-yl)acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide (CID 60566615) is N'-[2-(6-chloroindol-1-yl)acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-[2-(6-chloroindol-1-yl)acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-[2-(6-chloroindol-1-yl)acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide is Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)Cn1ccc2ccc(Cl)cc21.
What is the InChIKey of N'-[2-(6-chloroindol-1-yl)acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The InChIKey is SLWGVCDYTDLYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O3S/c1-12-17(29-19(21-12)24-6-8-28-9-7-24)18(27)23-22-16(26)11-25-5-4-13-2-3-14(20)10-15(13)25/h2-5,10H,6-9,11H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N'-[2-(6-chloroindol-1-yl)acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
N'-[2-(6-chloroindol-1-yl)acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide has a molecular weight of 433.92 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(6-chloroindol-1-yl)acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 60566615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).