N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide

C16H12F2N2O2S — CID 17394058

IUPACN-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1nc(-c2ccc(F)c(F)c2)c(C)s1
InChIInChI=1S/C16H12F2N2O2S/c1-8-11(5-6-22-8)15(21)20-16-19-14(9(2)23-16)10-3-4-12(17)13(18)7-10/h3-7H,1-2H3,(H,19,20,21)
InChIKeyYSUPTJOBFOAWQX-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.55
Rot. Bonds3

About N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide

N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide (PubChem CID 17394058) has the molecular formula C16H12F2N2O2S and a molecular weight of 334.35 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
PubChem CID17394058
Molecular FormulaC16H12F2N2O2S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC NameN-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1nc(-c2ccc(F)c(F)c2)c(C)s1
InChIInChI=1S/C16H12F2N2O2S/c1-8-11(5-6-22-8)15(21)20-16-19-14(9(2)23-16)10-3-4-12(17)13(18)7-10/h3-7H,1-2H3,(H,19,20,21)
InChIKeyYSUPTJOBFOAWQX-UHFFFAOYSA-N
XLogP4.55
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide (CID 17394058) is N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1nc(-c2ccc(F)c(F)c2)c(C)s1.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
The InChIKey is YSUPTJOBFOAWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2S/c1-8-11(5-6-22-8)15(21)20-16-19-14(9(2)23-16)10-3-4-12(17)13(18)7-10/h3-7H,1-2H3,(H,19,20,21).
What are the key properties of N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide has a molecular weight of 334.35 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 17394058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).