2-(furan-2-yl)-N,5-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide

C18H15F3N2O3S — CID 37491598

IUPAC2-(furan-2-yl)-N,5-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccco2)nc1C(=O)N(C)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H15F3N2O3S/c1-11-15(22-16(27-11)14-4-3-9-25-14)17(24)23(2)10-12-5-7-13(8-6-12)26-18(19,20)21/h3-9H,10H2,1-2H3
InChIKeyLLGJEHGPLOGVIW-UHFFFAOYSA-N
MW396.39 g/mol
LogP4.88
Rot. Bonds5

About 2-(furan-2-yl)-N,5-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide

2-(furan-2-yl)-N,5-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 37491598) has the molecular formula C18H15F3N2O3S and a molecular weight of 396.39 g/mol. Its IUPAC name is 2-(furan-2-yl)-N,5-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N,5-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID37491598
Molecular FormulaC18H15F3N2O3S
Molecular Weight396.39 g/mol
Exact Mass396.08
IUPAC Name2-(furan-2-yl)-N,5-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccco2)nc1C(=O)N(C)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H15F3N2O3S/c1-11-15(22-16(27-11)14-4-3-9-25-14)17(24)23(2)10-12-5-7-13(8-6-12)26-18(19,20)21/h3-9H,10H2,1-2H3
InChIKeyLLGJEHGPLOGVIW-UHFFFAOYSA-N
XLogP4.88
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N,5-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N,5-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide (CID 37491598) is 2-(furan-2-yl)-N,5-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N,5-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N,5-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide is Cc1sc(-c2ccco2)nc1C(=O)N(C)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(furan-2-yl)-N,5-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is LLGJEHGPLOGVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O3S/c1-11-15(22-16(27-11)14-4-3-9-25-14)17(24)23(2)10-12-5-7-13(8-6-12)26-18(19,20)21/h3-9H,10H2,1-2H3.
What are the key properties of 2-(furan-2-yl)-N,5-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide?
2-(furan-2-yl)-N,5-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 396.39 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N,5-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 37491598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).