2-(2-methyl-1,3-thiazol-4-yl)-N'-(4-morpholin-4-ylsulfonylphenyl)sulfonylacetohydrazide

C16H20N4O6S3 — CID 4669667

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-N'-(4-morpholin-4-ylsulfonylphenyl)sulfonylacetohydrazide
SMILESCc1nc(CC(=O)NNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1
InChIInChI=1S/C16H20N4O6S3/c1-12-17-13(11-27-12)10-16(21)18-19-28(22,23)14-2-4-15(5-3-14)29(24,25)20-6-8-26-9-7-20/h2-5,11,19H,6-10H2,1H3,(H,18,21)
InChIKeyNKWAPRZPWOIAKD-UHFFFAOYSA-N
MW460.56 g/mol
LogP0.02
Rot. Bonds7

About 2-(2-methyl-1,3-thiazol-4-yl)-N'-(4-morpholin-4-ylsulfonylphenyl)sulfonylacetohydrazide

2-(2-methyl-1,3-thiazol-4-yl)-N'-(4-morpholin-4-ylsulfonylphenyl)sulfonylacetohydrazide (PubChem CID 4669667) has the molecular formula C16H20N4O6S3 and a molecular weight of 460.56 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-N'-(4-morpholin-4-ylsulfonylphenyl)sulfonylacetohydrazide.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-N'-(4-morpholin-4-ylsulfonylphenyl)sulfonylacetohydrazide
PubChem CID4669667
Molecular FormulaC16H20N4O6S3
Molecular Weight460.56 g/mol
Exact Mass460.05
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-N'-(4-morpholin-4-ylsulfonylphenyl)sulfonylacetohydrazide
SMILESCc1nc(CC(=O)NNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1
InChIInChI=1S/C16H20N4O6S3/c1-12-17-13(11-27-12)10-16(21)18-19-28(22,23)14-2-4-15(5-3-14)29(24,25)20-6-8-26-9-7-20/h2-5,11,19H,6-10H2,1H3,(H,18,21)
InChIKeyNKWAPRZPWOIAKD-UHFFFAOYSA-N
XLogP0.02
TPSA134.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 50.02
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

N'-(3-bromophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
CID 4816800
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CID 4816112
2-(2-methyl-1,3-thiazol-4-yl)-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]acetohydrazide
CID 7667480
N'-(3-cyanophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
CID 7938291
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 24506126
4-[[(4-morpholin-4-ylsulfonylbenzoyl)amino]sulfamoyl]benzoic acid
CID 171983464
N-(3-methyl-1-morpholin-4-ylbutan-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 71856476
4-(4-methylpiperidin-1-yl)sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55754023
N'-(2,5-dimethoxyphenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
CID 4828143
N-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 103954303
2-(2-methyl-1,3-thiazol-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 134063109
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 46686268

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N'-(4-morpholin-4-ylsulfonylphenyl)sulfonylacetohydrazide?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N'-(4-morpholin-4-ylsulfonylphenyl)sulfonylacetohydrazide (CID 4669667) is 2-(2-methyl-1,3-thiazol-4-yl)-N'-(4-morpholin-4-ylsulfonylphenyl)sulfonylacetohydrazide.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-N'-(4-morpholin-4-ylsulfonylphenyl)sulfonylacetohydrazide?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-N'-(4-morpholin-4-ylsulfonylphenyl)sulfonylacetohydrazide is Cc1nc(CC(=O)NNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-N'-(4-morpholin-4-ylsulfonylphenyl)sulfonylacetohydrazide?
The InChIKey is NKWAPRZPWOIAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O6S3/c1-12-17-13(11-27-12)10-16(21)18-19-28(22,23)14-2-4-15(5-3-14)29(24,25)20-6-8-26-9-7-20/h2-5,11,19H,6-10H2,1H3,(H,18,21).
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-N'-(4-morpholin-4-ylsulfonylphenyl)sulfonylacetohydrazide?
2-(2-methyl-1,3-thiazol-4-yl)-N'-(4-morpholin-4-ylsulfonylphenyl)sulfonylacetohydrazide has a molecular weight of 460.56 g/mol, XLogP of 0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-N'-(4-morpholin-4-ylsulfonylphenyl)sulfonylacetohydrazide is sourced from PubChem (CID 4669667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).