N'-(3-chloro-1-benzothiophene-2-carbonyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide

C18H17ClN4O3S2 — CID 25446089

IUPACN'-(3-chloro-1-benzothiophene-2-carbonyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C18H17ClN4O3S2/c1-10-14(28-18(20-10)23-6-8-26-9-7-23)16(24)21-22-17(25)15-13(19)11-4-2-3-5-12(11)27-15/h2-5H,6-9H2,1H3,(H,21,24)(H,22,25)
InChIKeyGTQGHWIXPXUTOG-UHFFFAOYSA-N
MW436.95 g/mol
LogP3.23
Rot. Bonds3

About N'-(3-chloro-1-benzothiophene-2-carbonyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide

N'-(3-chloro-1-benzothiophene-2-carbonyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide (PubChem CID 25446089) has the molecular formula C18H17ClN4O3S2 and a molecular weight of 436.95 g/mol. Its IUPAC name is N'-(3-chloro-1-benzothiophene-2-carbonyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(3-chloro-1-benzothiophene-2-carbonyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
PubChem CID25446089
Molecular FormulaC18H17ClN4O3S2
Molecular Weight436.95 g/mol
Exact Mass436.04
IUPAC NameN'-(3-chloro-1-benzothiophene-2-carbonyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C18H17ClN4O3S2/c1-10-14(28-18(20-10)23-6-8-26-9-7-23)16(24)21-22-17(25)15-13(19)11-4-2-3-5-12(11)27-15/h2-5H,6-9H2,1H3,(H,21,24)(H,22,25)
InChIKeyGTQGHWIXPXUTOG-UHFFFAOYSA-N
XLogP3.23
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.95
LogP ≤ 53.23
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'-(3-chloro-4-methyl-1-benzothiophene-2-carbonyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 30689371
2-benzyl-4-methyl-N'-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 39912237
N'-[2-(4-chlorophenyl)acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 25445255
4-methyl-2-morpholin-4-yl-N'-(thiophene-3-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 25446747
1-benzyl-3-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]thiourea
CID 8768518
4-methyl-2-morpholin-4-yl-N'-(2-phenoxyacetyl)-1,3-thiazole-5-carbohydrazide
CID 26554798
4-methyl-N'-(5-methylfuran-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 25444482
4-methyl-2-morpholin-4-yl-N'-(2-phenylbutanoyl)-1,3-thiazole-5-carbohydrazide
CID 46532195
N-[4-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide
CID 55379424
N'-[2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 36757551
4-methyl-N'-[2-(4-methylphenyl)acetyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 17446856
(3-chloro-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 748154

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-1-benzothiophene-2-carbonyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-(3-chloro-1-benzothiophene-2-carbonyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide (CID 25446089) is N'-(3-chloro-1-benzothiophene-2-carbonyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-(3-chloro-1-benzothiophene-2-carbonyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-(3-chloro-1-benzothiophene-2-carbonyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide is Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1sc2ccccc2c1Cl.
What is the InChIKey of N'-(3-chloro-1-benzothiophene-2-carbonyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The InChIKey is GTQGHWIXPXUTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3S2/c1-10-14(28-18(20-10)23-6-8-26-9-7-23)16(24)21-22-17(25)15-13(19)11-4-2-3-5-12(11)27-15/h2-5H,6-9H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N'-(3-chloro-1-benzothiophene-2-carbonyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
N'-(3-chloro-1-benzothiophene-2-carbonyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide has a molecular weight of 436.95 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-1-benzothiophene-2-carbonyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 25446089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).