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

C16H13FN2O2S — CID 646081

IUPACN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)o1
InChIInChI=1S/C16H13FN2O2S/c1-10-2-7-14(21-10)15(20)19-16-18-9-13(22-16)8-11-3-5-12(17)6-4-11/h2-7,9H,8H2,1H3,(H,18,19,20)
InChIKeyIKAIVJMSPLXBMH-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.03
Rot. Bonds4

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

N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide (PubChem CID 646081) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
PubChem CID646081
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)o1
InChIInChI=1S/C16H13FN2O2S/c1-10-2-7-14(21-10)15(20)19-16-18-9-13(22-16)8-11-3-5-12(17)6-4-11/h2-7,9H,8H2,1H3,(H,18,19,20)
InChIKeyIKAIVJMSPLXBMH-UHFFFAOYSA-N
XLogP4.03
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide (CID 646081) is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)o1.
What is the InChIKey of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide?
The InChIKey is IKAIVJMSPLXBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c1-10-2-7-14(21-10)15(20)19-16-18-9-13(22-16)8-11-3-5-12(17)6-4-11/h2-7,9H,8H2,1H3,(H,18,19,20).
What are the key properties of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide?
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 646081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).