N-(furan-2-ylmethyl)-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]propanamide

C18H18N2O2S — CID 110333440

IUPACN-(furan-2-ylmethyl)-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]propanamide
SMILESCc1cccc(-c2nc(CCC(=O)NCc3ccco3)cs2)c1
InChIInChI=1S/C18H18N2O2S/c1-13-4-2-5-14(10-13)18-20-15(12-23-18)7-8-17(21)19-11-16-6-3-9-22-16/h2-6,9-10,12H,7-8,11H2,1H3,(H,19,21)
InChIKeyMXLWBEVXVIFVSK-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.96
Rot. Bonds6

About N-(furan-2-ylmethyl)-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]propanamide

N-(furan-2-ylmethyl)-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]propanamide (PubChem CID 110333440) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]propanamide
PubChem CID110333440
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-(furan-2-ylmethyl)-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]propanamide
SMILESCc1cccc(-c2nc(CCC(=O)NCc3ccco3)cs2)c1
InChIInChI=1S/C18H18N2O2S/c1-13-4-2-5-14(10-13)18-20-15(12-23-18)7-8-17(21)19-11-16-6-3-9-22-16/h2-6,9-10,12H,7-8,11H2,1H3,(H,19,21)
InChIKeyMXLWBEVXVIFVSK-UHFFFAOYSA-N
XLogP3.96
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(furan-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 71973739
N-(furan-2-ylmethyl)-2-(3-methylphenyl)acetamide
CID 6466784
3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 110333425
1,1-dimethyl-3-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110317337
3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylpropan-1-one
CID 110333431
3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-piperidin-1-ylpropan-1-one
CID 110333427
N-cyclopropyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17438306
3-(2,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
CID 36939792
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29370077
N-[2-(ethylamino)ethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119509228
N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 41276962
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[(2-nitrophenyl)methyl]acetamide
CID 78891113

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]propanamide (CID 110333440) is N-(furan-2-ylmethyl)-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]propanamide is Cc1cccc(-c2nc(CCC(=O)NCc3ccco3)cs2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]propanamide?
The InChIKey is MXLWBEVXVIFVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-13-4-2-5-14(10-13)18-20-15(12-23-18)7-8-17(21)19-11-16-6-3-9-22-16/h2-6,9-10,12H,7-8,11H2,1H3,(H,19,21).
What are the key properties of N-(furan-2-ylmethyl)-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]propanamide?
N-(furan-2-ylmethyl)-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]propanamide has a molecular weight of 326.42 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]propanamide is sourced from PubChem (CID 110333440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).