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

C15H17BrN4O4S2 — CID 17498202

IUPACN'-(4-bromo-3-methylphenyl)sulfonyl-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESCc1cc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)ccc1Br
InChIInChI=1S/C15H17BrN4O4S2/c1-10-8-11(2-3-12(10)16)26(22,23)19-18-14(21)13-9-25-15(17-13)20-4-6-24-7-5-20/h2-3,8-9,19H,4-7H2,1H3,(H,18,21)
InChIKeyDHNHJJQAZJJMJN-UHFFFAOYSA-N
MW461.36 g/mol
LogP1.67
Rot. Bonds5

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

N'-(4-bromo-3-methylphenyl)sulfonyl-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (PubChem CID 17498202) has the molecular formula C15H17BrN4O4S2 and a molecular weight of 461.36 g/mol. Its IUPAC name is N'-(4-bromo-3-methylphenyl)sulfonyl-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-bromo-3-methylphenyl)sulfonyl-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
PubChem CID17498202
Molecular FormulaC15H17BrN4O4S2
Molecular Weight461.36 g/mol
Exact Mass459.99
IUPAC NameN'-(4-bromo-3-methylphenyl)sulfonyl-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESCc1cc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)ccc1Br
InChIInChI=1S/C15H17BrN4O4S2/c1-10-8-11(2-3-12(10)16)26(22,23)19-18-14(21)13-9-25-15(17-13)20-4-6-24-7-5-20/h2-3,8-9,19H,4-7H2,1H3,(H,18,21)
InChIKeyDHNHJJQAZJJMJN-UHFFFAOYSA-N
XLogP1.67
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.36
LogP ≤ 51.67
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
2-morpholin-4-yl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazole-4-carbohydrazide
CID 26950970
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'-(2,5-dimethylthiophene-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 24553635
N'-(3-fluoro-4-methylbenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 31718405
N'-(5-methylfuran-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 18120592
N'-(4-methylphenyl)sulfonyl-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetohydrazide
CID 8505665
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
N'-(cyclopropanecarbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 17439911
N'-(3-bromo-5-fluorobenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 46471739
1-(3-chlorophenyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 46672798

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-3-methylphenyl)sulfonyl-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-(4-bromo-3-methylphenyl)sulfonyl-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (CID 17498202) is N'-(4-bromo-3-methylphenyl)sulfonyl-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-(4-bromo-3-methylphenyl)sulfonyl-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-(4-bromo-3-methylphenyl)sulfonyl-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is Cc1cc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)ccc1Br.
What is the InChIKey of N'-(4-bromo-3-methylphenyl)sulfonyl-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The InChIKey is DHNHJJQAZJJMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O4S2/c1-10-8-11(2-3-12(10)16)26(22,23)19-18-14(21)13-9-25-15(17-13)20-4-6-24-7-5-20/h2-3,8-9,19H,4-7H2,1H3,(H,18,21).
What are the key properties of N'-(4-bromo-3-methylphenyl)sulfonyl-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
N'-(4-bromo-3-methylphenyl)sulfonyl-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide has a molecular weight of 461.36 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-3-methylphenyl)sulfonyl-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 17498202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).