2-morpholin-4-yl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazole-4-carbohydrazide

C18H22N4O4S2 — CID 26950970

IUPAC2-morpholin-4-yl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc2c(c1)CCCC2)c1csc(N2CCOCC2)n1
InChIInChI=1S/C18H22N4O4S2/c23-17(16-12-27-18(19-16)22-7-9-26-10-8-22)20-21-28(24,25)15-6-5-13-3-1-2-4-14(13)11-15/h5-6,11-12,21H,1-4,7-10H2,(H,20,23)
InChIKeyCPCFDRIJDJTIEY-UHFFFAOYSA-N
MW422.53 g/mol
LogP1.48
Rot. Bonds5

About 2-morpholin-4-yl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazole-4-carbohydrazide

2-morpholin-4-yl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazole-4-carbohydrazide (PubChem CID 26950970) has the molecular formula C18H22N4O4S2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-morpholin-4-yl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-morpholin-4-yl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazole-4-carbohydrazide
PubChem CID26950970
Molecular FormulaC18H22N4O4S2
Molecular Weight422.53 g/mol
Exact Mass422.11
IUPAC Name2-morpholin-4-yl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc2c(c1)CCCC2)c1csc(N2CCOCC2)n1
InChIInChI=1S/C18H22N4O4S2/c23-17(16-12-27-18(19-16)22-7-9-26-10-8-22)20-21-28(24,25)15-6-5-13-3-1-2-4-14(13)11-15/h5-6,11-12,21H,1-4,7-10H2,(H,20,23)
InChIKeyCPCFDRIJDJTIEY-UHFFFAOYSA-N
XLogP1.48
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 51.48
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

2-methyl-5-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]sulfamoyl]benzoic acid
CID 55353253
N'-(4-bromo-3-methylphenyl)sulfonyl-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 17498202
1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 24574552
N-(4-methoxyphenyl)-4-methyl-3-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 24980855
N'-(5-methylfuran-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 18120592
N'-(cyclopropanecarbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 17439911
2-morpholin-4-yl-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 18120603
4-methoxy-N-[(2S)-3-methyl-1-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-1-oxobutan-2-yl]benzenesulfonamide
CID 31717997
2-morpholin-4-yl-N'-(1-phenylcyclopropanecarbonyl)-1,3-thiazole-4-carbohydrazide
CID 32810379
2-morpholin-4-yl-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)-1,3-thiazole-4-carboxamide
CID 71903261
N'-(2,5-dimethylthiophene-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 24553635
N'-(1,3-benzodioxole-5-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 18120599

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-morpholin-4-yl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazole-4-carbohydrazide (CID 26950970) is 2-morpholin-4-yl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-morpholin-4-yl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-morpholin-4-yl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazole-4-carbohydrazide is O=C(NNS(=O)(=O)c1ccc2c(c1)CCCC2)c1csc(N2CCOCC2)n1.
What is the InChIKey of 2-morpholin-4-yl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is CPCFDRIJDJTIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S2/c23-17(16-12-27-18(19-16)22-7-9-26-10-8-22)20-21-28(24,25)15-6-5-13-3-1-2-4-14(13)11-15/h5-6,11-12,21H,1-4,7-10H2,(H,20,23).
What are the key properties of 2-morpholin-4-yl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazole-4-carbohydrazide?
2-morpholin-4-yl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 422.53 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 26950970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).