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

C15H15F3N4O4S2 — CID 26950922

IUPAC4-methyl-2-morpholin-4-yl-N'-(2,3,4-trifluorophenyl)sulfonyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H15F3N4O4S2/c1-8-13(27-15(19-8)22-4-6-26-7-5-22)14(23)20-21-28(24,25)10-3-2-9(16)11(17)12(10)18/h2-3,21H,4-7H2,1H3,(H,20,23)
InChIKeyRHTCSKMJXVQPHY-UHFFFAOYSA-N
MW436.44 g/mol
LogP1.33
Rot. Bonds5

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

4-methyl-2-morpholin-4-yl-N'-(2,3,4-trifluorophenyl)sulfonyl-1,3-thiazole-5-carbohydrazide (PubChem CID 26950922) has the molecular formula C15H15F3N4O4S2 and a molecular weight of 436.44 g/mol. Its IUPAC name is 4-methyl-2-morpholin-4-yl-N'-(2,3,4-trifluorophenyl)sulfonyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-methyl-2-morpholin-4-yl-N'-(2,3,4-trifluorophenyl)sulfonyl-1,3-thiazole-5-carbohydrazide
PubChem CID26950922
Molecular FormulaC15H15F3N4O4S2
Molecular Weight436.44 g/mol
Exact Mass436.05
IUPAC Name4-methyl-2-morpholin-4-yl-N'-(2,3,4-trifluorophenyl)sulfonyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H15F3N4O4S2/c1-8-13(27-15(19-8)22-4-6-26-7-5-22)14(23)20-21-28(24,25)10-3-2-9(16)11(17)12(10)18/h2-3,21H,4-7H2,1H3,(H,20,23)
InChIKeyRHTCSKMJXVQPHY-UHFFFAOYSA-N
XLogP1.33
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-morpholin-4-yl-N'-(2,3,4-trifluorophenyl)sulfonyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 4-methyl-2-morpholin-4-yl-N'-(2,3,4-trifluorophenyl)sulfonyl-1,3-thiazole-5-carbohydrazide (CID 26950922) is 4-methyl-2-morpholin-4-yl-N'-(2,3,4-trifluorophenyl)sulfonyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 4-methyl-2-morpholin-4-yl-N'-(2,3,4-trifluorophenyl)sulfonyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 4-methyl-2-morpholin-4-yl-N'-(2,3,4-trifluorophenyl)sulfonyl-1,3-thiazole-5-carbohydrazide is Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of 4-methyl-2-morpholin-4-yl-N'-(2,3,4-trifluorophenyl)sulfonyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is RHTCSKMJXVQPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O4S2/c1-8-13(27-15(19-8)22-4-6-26-7-5-22)14(23)20-21-28(24,25)10-3-2-9(16)11(17)12(10)18/h2-3,21H,4-7H2,1H3,(H,20,23).
What are the key properties of 4-methyl-2-morpholin-4-yl-N'-(2,3,4-trifluorophenyl)sulfonyl-1,3-thiazole-5-carbohydrazide?
4-methyl-2-morpholin-4-yl-N'-(2,3,4-trifluorophenyl)sulfonyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 436.44 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-morpholin-4-yl-N'-(2,3,4-trifluorophenyl)sulfonyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 26950922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).