N-(5-benzyl-1,3-thiazol-2-yl)-3-(furan-2-yl)propanamide

C17H16N2O2S — CID 18132600

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C17H16N2O2S/c20-16(9-8-14-7-4-10-21-14)19-17-18-12-15(22-17)11-13-5-2-1-3-6-13/h1-7,10,12H,8-9,11H2,(H,18,19,20)
InChIKeyXLNAOHMOQVKMJZ-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.90
Rot. Bonds6

About N-(5-benzyl-1,3-thiazol-2-yl)-3-(furan-2-yl)propanamide

N-(5-benzyl-1,3-thiazol-2-yl)-3-(furan-2-yl)propanamide (PubChem CID 18132600) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-3-(furan-2-yl)propanamide
PubChem CID18132600
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C17H16N2O2S/c20-16(9-8-14-7-4-10-21-14)19-17-18-12-15(22-17)11-13-5-2-1-3-6-13/h1-7,10,12H,8-9,11H2,(H,18,19,20)
InChIKeyXLNAOHMOQVKMJZ-UHFFFAOYSA-N
XLogP3.90
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-Methylfuran-2-yl)methyl]-1,3-thiazol-2-amine
CID 686340
N-(5-(4-methoxybenzyl)thiazol-2-yl)thiophene-2-carboxamide
CID 779445
N-[5-(2,5-Dichloro-benzyl)-thiazol-2-yl]-3-(5-methyl-furan-2-yl)-propionamide
CID 1183030
N-[5-(4-methylbenzyl)-1,3-thiazol-2-yl]-2-furamide
CID 724162
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide
CID 1244464
N-[5-(2-chlorobenzyl)-1,3-thiazol-2-yl]-3-(5-ethylfuran-2-yl)propanamide
CID 1873833
N-[5-(1-benzofuran-7-ylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 145969726
N-[5-(1-benzofuran-7-ylmethyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide
CID 145987036
3-(4-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 2110385
2-(2-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2399334
3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 3155704
(E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 750961

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-3-(furan-2-yl)propanamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-3-(furan-2-yl)propanamide (CID 18132600) is N-(5-benzyl-1,3-thiazol-2-yl)-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-3-(furan-2-yl)propanamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-3-(furan-2-yl)propanamide is O=C(CCc1ccco1)Nc1ncc(Cc2ccccc2)s1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-3-(furan-2-yl)propanamide?
The InChIKey is XLNAOHMOQVKMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c20-16(9-8-14-7-4-10-21-14)19-17-18-12-15(22-17)11-13-5-2-1-3-6-13/h1-7,10,12H,8-9,11H2,(H,18,19,20).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-3-(furan-2-yl)propanamide?
N-(5-benzyl-1,3-thiazol-2-yl)-3-(furan-2-yl)propanamide has a molecular weight of 312.39 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-3-(furan-2-yl)propanamide is sourced from PubChem (CID 18132600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).