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

C16H19BrN4O4S2 — CID 35509752

IUPACN'-(2-bromo-4-methylphenyl)sulfonyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c(Br)c1
InChIInChI=1S/C16H19BrN4O4S2/c1-10-3-4-13(12(17)9-10)27(23,24)20-19-15(22)14-11(2)18-16(26-14)21-5-7-25-8-6-21/h3-4,9,20H,5-8H2,1-2H3,(H,19,22)
InChIKeyWWZYBDSVNIABNY-UHFFFAOYSA-N
MW475.39 g/mol
LogP1.98
Rot. Bonds5

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

N'-(2-bromo-4-methylphenyl)sulfonyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide (PubChem CID 35509752) has the molecular formula C16H19BrN4O4S2 and a molecular weight of 475.39 g/mol. Its IUPAC name is N'-(2-bromo-4-methylphenyl)sulfonyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(2-bromo-4-methylphenyl)sulfonyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
PubChem CID35509752
Molecular FormulaC16H19BrN4O4S2
Molecular Weight475.39 g/mol
Exact Mass474.00
IUPAC NameN'-(2-bromo-4-methylphenyl)sulfonyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c(Br)c1
InChIInChI=1S/C16H19BrN4O4S2/c1-10-3-4-13(12(17)9-10)27(23,24)20-19-15(22)14-11(2)18-16(26-14)21-5-7-25-8-6-21/h3-4,9,20H,5-8H2,1-2H3,(H,19,22)
InChIKeyWWZYBDSVNIABNY-UHFFFAOYSA-N
XLogP1.98
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.39
LogP ≤ 51.98
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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Frequently Asked Questions

What is the IUPAC name of N'-(2-bromo-4-methylphenyl)sulfonyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-(2-bromo-4-methylphenyl)sulfonyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide (CID 35509752) is N'-(2-bromo-4-methylphenyl)sulfonyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-(2-bromo-4-methylphenyl)sulfonyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-(2-bromo-4-methylphenyl)sulfonyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide is Cc1ccc(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c(Br)c1.
What is the InChIKey of N'-(2-bromo-4-methylphenyl)sulfonyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The InChIKey is WWZYBDSVNIABNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O4S2/c1-10-3-4-13(12(17)9-10)27(23,24)20-19-15(22)14-11(2)18-16(26-14)21-5-7-25-8-6-21/h3-4,9,20H,5-8H2,1-2H3,(H,19,22).
What are the key properties of N'-(2-bromo-4-methylphenyl)sulfonyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
N'-(2-bromo-4-methylphenyl)sulfonyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide has a molecular weight of 475.39 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromo-4-methylphenyl)sulfonyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 35509752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).