N'-(4-methoxyphenyl)sulfonyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide

C16H20N4O5S2 — CID 26950907

IUPACN'-(4-methoxyphenyl)sulfonyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
SMILESCOc1ccc(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cc1
InChIInChI=1S/C16H20N4O5S2/c1-11-14(26-16(17-11)20-7-9-25-10-8-20)15(21)18-19-27(22,23)13-5-3-12(24-2)4-6-13/h3-6,19H,7-10H2,1-2H3,(H,18,21)
InChIKeyPJAOZDAGULHAHJ-UHFFFAOYSA-N
MW412.49 g/mol
LogP0.92
Rot. Bonds6

About N'-(4-methoxyphenyl)sulfonyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide

N'-(4-methoxyphenyl)sulfonyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide (PubChem CID 26950907) has the molecular formula C16H20N4O5S2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N'-(4-methoxyphenyl)sulfonyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(4-methoxyphenyl)sulfonyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
PubChem CID26950907
Molecular FormulaC16H20N4O5S2
Molecular Weight412.49 g/mol
Exact Mass412.09
IUPAC NameN'-(4-methoxyphenyl)sulfonyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
SMILESCOc1ccc(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cc1
InChIInChI=1S/C16H20N4O5S2/c1-11-14(26-16(17-11)20-7-9-25-10-8-20)15(21)18-19-27(22,23)13-5-3-12(24-2)4-6-13/h3-6,19H,7-10H2,1-2H3,(H,18,21)
InChIKeyPJAOZDAGULHAHJ-UHFFFAOYSA-N
XLogP0.92
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-morpholin-4-yl-N'-thiophen-2-ylsulfonyl-1,3-thiazole-5-carbohydrazide
CID 26950906
4-methyl-2-morpholin-4-yl-N'-(2,3,4-trifluorophenyl)sulfonyl-1,3-thiazole-5-carbohydrazide
CID 26950922
N'-(2-bromo-4-methylphenyl)sulfonyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 35509752
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'-(thiophene-3-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 25446747
N-tert-butyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 154568714
N'-[3-(3-methoxyphenyl)propanoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 24543209
4-methyl-N'-[2-(4-methylphenyl)acetyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 17446856
4-methyl-N'-[2-(3-methylphenoxy)propanoyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 43004097
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

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxyphenyl)sulfonyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-(4-methoxyphenyl)sulfonyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide (CID 26950907) is N'-(4-methoxyphenyl)sulfonyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-(4-methoxyphenyl)sulfonyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-(4-methoxyphenyl)sulfonyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide is COc1ccc(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cc1.
What is the InChIKey of N'-(4-methoxyphenyl)sulfonyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The InChIKey is PJAOZDAGULHAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O5S2/c1-11-14(26-16(17-11)20-7-9-25-10-8-20)15(21)18-19-27(22,23)13-5-3-12(24-2)4-6-13/h3-6,19H,7-10H2,1-2H3,(H,18,21).
What are the key properties of N'-(4-methoxyphenyl)sulfonyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
N'-(4-methoxyphenyl)sulfonyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide has a molecular weight of 412.49 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxyphenyl)sulfonyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 26950907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).