2-[2-methyl-5-(trifluoromethyl)anilino]-N-morpholin-4-ylsulfonyl-1,3-thiazole-4-carboxamide

C16H17F3N4O4S2 — CID 156549496

IUPAC2-[2-methyl-5-(trifluoromethyl)anilino]-N-morpholin-4-ylsulfonyl-1,3-thiazole-4-carboxamide
SMILESCc1ccc(C(F)(F)F)cc1Nc1nc(C(=O)NS(=O)(=O)N2CCOCC2)cs1
InChIInChI=1S/C16H17F3N4O4S2/c1-10-2-3-11(16(17,18)19)8-12(10)20-15-21-13(9-28-15)14(24)22-29(25,26)23-4-6-27-7-5-23/h2-3,8-9H,4-7H2,1H3,(H,20,21)(H,22,24)
InChIKeyNVXYKPKBXFCLOD-UHFFFAOYSA-N
MW450.46 g/mol
LogP2.52
Rot. Bonds5

About 2-[2-methyl-5-(trifluoromethyl)anilino]-N-morpholin-4-ylsulfonyl-1,3-thiazole-4-carboxamide

2-[2-methyl-5-(trifluoromethyl)anilino]-N-morpholin-4-ylsulfonyl-1,3-thiazole-4-carboxamide (PubChem CID 156549496) has the molecular formula C16H17F3N4O4S2 and a molecular weight of 450.46 g/mol. Its IUPAC name is 2-[2-methyl-5-(trifluoromethyl)anilino]-N-morpholin-4-ylsulfonyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-methyl-5-(trifluoromethyl)anilino]-N-morpholin-4-ylsulfonyl-1,3-thiazole-4-carboxamide
PubChem CID156549496
Molecular FormulaC16H17F3N4O4S2
Molecular Weight450.46 g/mol
Exact Mass450.06
IUPAC Name2-[2-methyl-5-(trifluoromethyl)anilino]-N-morpholin-4-ylsulfonyl-1,3-thiazole-4-carboxamide
SMILESCc1ccc(C(F)(F)F)cc1Nc1nc(C(=O)NS(=O)(=O)N2CCOCC2)cs1
InChIInChI=1S/C16H17F3N4O4S2/c1-10-2-3-11(16(17,18)19)8-12(10)20-15-21-13(9-28-15)14(24)22-29(25,26)23-4-6-27-7-5-23/h2-3,8-9H,4-7H2,1H3,(H,20,21)(H,22,24)
InChIKeyNVXYKPKBXFCLOD-UHFFFAOYSA-N
XLogP2.52
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.46
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-5-(trifluoromethyl)anilino]-N-morpholin-4-ylsulfonyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[2-methyl-5-(trifluoromethyl)anilino]-N-morpholin-4-ylsulfonyl-1,3-thiazole-4-carboxamide (CID 156549496) is 2-[2-methyl-5-(trifluoromethyl)anilino]-N-morpholin-4-ylsulfonyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[2-methyl-5-(trifluoromethyl)anilino]-N-morpholin-4-ylsulfonyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[2-methyl-5-(trifluoromethyl)anilino]-N-morpholin-4-ylsulfonyl-1,3-thiazole-4-carboxamide is Cc1ccc(C(F)(F)F)cc1Nc1nc(C(=O)NS(=O)(=O)N2CCOCC2)cs1.
What is the InChIKey of 2-[2-methyl-5-(trifluoromethyl)anilino]-N-morpholin-4-ylsulfonyl-1,3-thiazole-4-carboxamide?
The InChIKey is NVXYKPKBXFCLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O4S2/c1-10-2-3-11(16(17,18)19)8-12(10)20-15-21-13(9-28-15)14(24)22-29(25,26)23-4-6-27-7-5-23/h2-3,8-9H,4-7H2,1H3,(H,20,21)(H,22,24).
What are the key properties of 2-[2-methyl-5-(trifluoromethyl)anilino]-N-morpholin-4-ylsulfonyl-1,3-thiazole-4-carboxamide?
2-[2-methyl-5-(trifluoromethyl)anilino]-N-morpholin-4-ylsulfonyl-1,3-thiazole-4-carboxamide has a molecular weight of 450.46 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-5-(trifluoromethyl)anilino]-N-morpholin-4-ylsulfonyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 156549496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).