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

C16H13FN2O2S — CID 17249247

IUPACN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1
InChIInChI=1S/C16H13FN2O2S/c1-9-13(7-8-21-9)15(20)19-16-18-14(10(2)22-16)11-3-5-12(17)6-4-11/h3-8H,1-2H3,(H,18,19,20)
InChIKeyNZHLEGVPCJESLV-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.41
Rot. Bonds3

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

N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide (PubChem CID 17249247) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
PubChem CID17249247
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1
InChIInChI=1S/C16H13FN2O2S/c1-9-13(7-8-21-9)15(20)19-16-18-14(10(2)22-16)11-3-5-12(17)6-4-11/h3-8H,1-2H3,(H,18,19,20)
InChIKeyNZHLEGVPCJESLV-UHFFFAOYSA-N
XLogP4.41
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide (CID 17249247) is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1.
What is the InChIKey of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
The InChIKey is NZHLEGVPCJESLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c1-9-13(7-8-21-9)15(20)19-16-18-14(10(2)22-16)11-3-5-12(17)6-4-11/h3-8H,1-2H3,(H,18,19,20).
What are the key properties of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 17249247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).