4-(2,6-difluorophenyl)-5-(6-methyl-1,3-benzoxazol-5-yl)-1,3-thiazole-2-carboxamide

C18H11F2N3O2S — CID 66779488

IUPAC4-(2,6-difluorophenyl)-5-(6-methyl-1,3-benzoxazol-5-yl)-1,3-thiazole-2-carboxamide
SMILESCc1cc2ocnc2cc1-c1sc(C(N)=O)nc1-c1c(F)cccc1F
InChIInChI=1S/C18H11F2N3O2S/c1-8-5-13-12(22-7-25-13)6-9(8)16-15(23-18(26-16)17(21)24)14-10(19)3-2-4-11(14)20/h2-7H,1H3,(H2,21,24)
InChIKeyLCGRAYLKIPJKAR-UHFFFAOYSA-N
MW371.37 g/mol
LogP4.30
Rot. Bonds3

About 4-(2,6-difluorophenyl)-5-(6-methyl-1,3-benzoxazol-5-yl)-1,3-thiazole-2-carboxamide

4-(2,6-difluorophenyl)-5-(6-methyl-1,3-benzoxazol-5-yl)-1,3-thiazole-2-carboxamide (PubChem CID 66779488) has the molecular formula C18H11F2N3O2S and a molecular weight of 371.37 g/mol. Its IUPAC name is 4-(2,6-difluorophenyl)-5-(6-methyl-1,3-benzoxazol-5-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(2,6-difluorophenyl)-5-(6-methyl-1,3-benzoxazol-5-yl)-1,3-thiazole-2-carboxamide
PubChem CID66779488
Molecular FormulaC18H11F2N3O2S
Molecular Weight371.37 g/mol
Exact Mass371.05
IUPAC Name4-(2,6-difluorophenyl)-5-(6-methyl-1,3-benzoxazol-5-yl)-1,3-thiazole-2-carboxamide
SMILESCc1cc2ocnc2cc1-c1sc(C(N)=O)nc1-c1c(F)cccc1F
InChIInChI=1S/C18H11F2N3O2S/c1-8-5-13-12(22-7-25-13)6-9(8)16-15(23-18(26-16)17(21)24)14-10(19)3-2-4-11(14)20/h2-7H,1H3,(H2,21,24)
InChIKeyLCGRAYLKIPJKAR-UHFFFAOYSA-N
XLogP4.30
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorophenyl)-5-(6-methyl-1,3-benzoxazol-5-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(2,6-difluorophenyl)-5-(6-methyl-1,3-benzoxazol-5-yl)-1,3-thiazole-2-carboxamide (CID 66779488) is 4-(2,6-difluorophenyl)-5-(6-methyl-1,3-benzoxazol-5-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(2,6-difluorophenyl)-5-(6-methyl-1,3-benzoxazol-5-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(2,6-difluorophenyl)-5-(6-methyl-1,3-benzoxazol-5-yl)-1,3-thiazole-2-carboxamide is Cc1cc2ocnc2cc1-c1sc(C(N)=O)nc1-c1c(F)cccc1F.
What is the InChIKey of 4-(2,6-difluorophenyl)-5-(6-methyl-1,3-benzoxazol-5-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is LCGRAYLKIPJKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N3O2S/c1-8-5-13-12(22-7-25-13)6-9(8)16-15(23-18(26-16)17(21)24)14-10(19)3-2-4-11(14)20/h2-7H,1H3,(H2,21,24).
What are the key properties of 4-(2,6-difluorophenyl)-5-(6-methyl-1,3-benzoxazol-5-yl)-1,3-thiazole-2-carboxamide?
4-(2,6-difluorophenyl)-5-(6-methyl-1,3-benzoxazol-5-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 371.37 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorophenyl)-5-(6-methyl-1,3-benzoxazol-5-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 66779488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).