N-[(5-methylfuran-2-yl)methyl]-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide

C18H14F3N3O3S — CID 46114198

IUPACN-[(5-methylfuran-2-yl)methyl]-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(CNC(=O)c2csc(NC(=O)c3ccccc3C(F)(F)F)n2)o1
InChIInChI=1S/C18H14F3N3O3S/c1-10-6-7-11(27-10)8-22-16(26)14-9-28-17(23-14)24-15(25)12-4-2-3-5-13(12)18(19,20)21/h2-7,9H,8H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyCKYOFZXQSOWEOQ-UHFFFAOYSA-N
MW409.39 g/mol
LogP4.25
Rot. Bonds5

About N-[(5-methylfuran-2-yl)methyl]-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide

N-[(5-methylfuran-2-yl)methyl]-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide (PubChem CID 46114198) has the molecular formula C18H14F3N3O3S and a molecular weight of 409.39 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
PubChem CID46114198
Molecular FormulaC18H14F3N3O3S
Molecular Weight409.39 g/mol
Exact Mass409.07
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(CNC(=O)c2csc(NC(=O)c3ccccc3C(F)(F)F)n2)o1
InChIInChI=1S/C18H14F3N3O3S/c1-10-6-7-11(27-10)8-22-16(26)14-9-28-17(23-14)24-15(25)12-4-2-3-5-13(12)18(19,20)21/h2-7,9H,8H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyCKYOFZXQSOWEOQ-UHFFFAOYSA-N
XLogP4.25
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(5-methylfuran-2-yl)methyl]-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-(2-morpholin-4-ylethyl)-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 46114179
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 108760187
2-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66376144
N-cyclohexyl-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 46114168
4-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2,4-dicarboxamide
CID 53158295
methyl 2-[2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 86978228
2-[(2-fluorobenzoyl)amino]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 16916583
2-(trifluoromethyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4857176
ethyl 4-[(5-methylfuran-2-yl)methylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697972
N-(furan-2-ylmethyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555623
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide
CID 26249519
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(trifluoromethylsulfanyl)benzamide
CID 55607660

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide (CID 46114198) is N-[(5-methylfuran-2-yl)methyl]-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide is Cc1ccc(CNC(=O)c2csc(NC(=O)c3ccccc3C(F)(F)F)n2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide?
The InChIKey is CKYOFZXQSOWEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3S/c1-10-6-7-11(27-10)8-22-16(26)14-9-28-17(23-14)24-15(25)12-4-2-3-5-13(12)18(19,20)21/h2-7,9H,8H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide?
N-[(5-methylfuran-2-yl)methyl]-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide has a molecular weight of 409.39 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46114198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).