2-fluoro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide

C16H13FN2O2S — CID 121123478

IUPAC2-fluoro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide
SMILESCc1nc(-c2ccco2)sc1CNC(=O)c1ccccc1F
InChIInChI=1S/C16H13FN2O2S/c1-10-14(22-16(19-10)13-7-4-8-21-13)9-18-15(20)11-5-2-3-6-12(11)17/h2-8H,9H2,1H3,(H,18,20)
InChIKeyYSBIENUBVCZMHN-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.78
Rot. Bonds4

About 2-fluoro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide

2-fluoro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide (PubChem CID 121123478) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-fluoro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide
PubChem CID121123478
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC Name2-fluoro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide
SMILESCc1nc(-c2ccco2)sc1CNC(=O)c1ccccc1F
InChIInChI=1S/C16H13FN2O2S/c1-10-14(22-16(19-10)13-7-4-8-21-13)9-18-15(20)11-5-2-3-6-12(11)17/h2-8H,9H2,1H3,(H,18,20)
InChIKeyYSBIENUBVCZMHN-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide
CID 121123607
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 121123601
5-chloro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxybenzamide
CID 121123469
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-1H-indole-3-carboxamide
CID 121123680
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-1,2-oxazole-5-carboxamide
CID 121123610
2-(2-chloro-6-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide
CID 121123703
1-[(4-fluorophenyl)methyl]-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 71795691
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,4-dimethylbenzamide
CID 121123528
3-(4-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121123707
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrazine-2-carboxamide
CID 121123691
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-methylbutanamide
CID 121123522
1-(3-fluoro-4-methylphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 121123811

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide?
The IUPAC name of 2-fluoro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide (CID 121123478) is 2-fluoro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide is Cc1nc(-c2ccco2)sc1CNC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide?
The InChIKey is YSBIENUBVCZMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c1-10-14(22-16(19-10)13-7-4-8-21-13)9-18-15(20)11-5-2-3-6-12(11)17/h2-8H,9H2,1H3,(H,18,20).
What are the key properties of 2-fluoro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide?
2-fluoro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide has a molecular weight of 316.36 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide is sourced from PubChem (CID 121123478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).