N'-(4-methylphenyl)sulfonyl-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetohydrazide

C16H20N4O4S2 — CID 8505665

IUPACN'-(4-methylphenyl)sulfonyl-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)Cc2csc(N3CCOCC3)n2)cc1
InChIInChI=1S/C16H20N4O4S2/c1-12-2-4-14(5-3-12)26(22,23)19-18-15(21)10-13-11-25-16(17-13)20-6-8-24-9-7-20/h2-5,11,19H,6-10H2,1H3,(H,18,21)
InChIKeyZKLJXSRJCQTNGP-UHFFFAOYSA-N
MW396.49 g/mol
LogP0.84
Rot. Bonds6

About N'-(4-methylphenyl)sulfonyl-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetohydrazide

N'-(4-methylphenyl)sulfonyl-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetohydrazide (PubChem CID 8505665) has the molecular formula C16H20N4O4S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is N'-(4-methylphenyl)sulfonyl-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetohydrazide.

Molecular Properties

Compound NameN'-(4-methylphenyl)sulfonyl-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetohydrazide
PubChem CID8505665
Molecular FormulaC16H20N4O4S2
Molecular Weight396.49 g/mol
Exact Mass396.09
IUPAC NameN'-(4-methylphenyl)sulfonyl-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)Cc2csc(N3CCOCC3)n2)cc1
InChIInChI=1S/C16H20N4O4S2/c1-12-2-4-14(5-3-12)26(22,23)19-18-15(21)10-13-11-25-16(17-13)20-6-8-24-9-7-20/h2-5,11,19H,6-10H2,1H3,(H,18,21)
InChIKeyZKLJXSRJCQTNGP-UHFFFAOYSA-N
XLogP0.84
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 50.84
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-(2-methyl-1,3-thiazol-4-yl)-N'-(4-morpholin-4-ylsulfonylphenyl)sulfonylacetohydrazide
CID 4669667
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-benzyl-3-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]thiourea
CID 8627730
4-ethyl-N'-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]-5-propylthiophene-2-carbohydrazide
CID 9278398
N'-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]-1-phenylpyrazole-4-carbohydrazide
CID 9278448
2-morpholin-4-yl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazole-4-carbohydrazide
CID 26950970
N'-(4-methoxyphenyl)sulfonyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 26950907
N-[4-(hydroxymethyl)-2-pyridinyl]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide
CID 154784296
N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
CID 4827990
1-[3-[(3-methylphenyl)methyl]azetidin-1-yl]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 154744759
ethyl 2-[2-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazol-5-yl]acetate
CID 167901227

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylphenyl)sulfonyl-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetohydrazide?
The IUPAC name of N'-(4-methylphenyl)sulfonyl-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetohydrazide (CID 8505665) is N'-(4-methylphenyl)sulfonyl-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetohydrazide.
What is the SMILES notation for N'-(4-methylphenyl)sulfonyl-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetohydrazide?
The canonical SMILES for N'-(4-methylphenyl)sulfonyl-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetohydrazide is Cc1ccc(S(=O)(=O)NNC(=O)Cc2csc(N3CCOCC3)n2)cc1.
What is the InChIKey of N'-(4-methylphenyl)sulfonyl-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetohydrazide?
The InChIKey is ZKLJXSRJCQTNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S2/c1-12-2-4-14(5-3-12)26(22,23)19-18-15(21)10-13-11-25-16(17-13)20-6-8-24-9-7-20/h2-5,11,19H,6-10H2,1H3,(H,18,21).
What are the key properties of N'-(4-methylphenyl)sulfonyl-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetohydrazide?
N'-(4-methylphenyl)sulfonyl-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetohydrazide has a molecular weight of 396.49 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylphenyl)sulfonyl-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetohydrazide is sourced from PubChem (CID 8505665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).