N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide

C17H16N2O2S — CID 651338

IUPACN-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESCCC(=O)N(Cc1ccco1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H16N2O2S/c1-2-16(20)19(11-14-9-6-10-21-14)17-18-15(12-22-17)13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3
InChIKeyXWZGMOYPVSWYOT-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.35
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide

N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (PubChem CID 651338) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
PubChem CID651338
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESCCC(=O)N(Cc1ccco1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H16N2O2S/c1-2-16(20)19(11-14-9-6-10-21-14)17-18-15(12-22-17)13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3
InChIKeyXWZGMOYPVSWYOT-UHFFFAOYSA-N
XLogP4.35
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (CID 651338) is N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is CCC(=O)N(Cc1ccco1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is XWZGMOYPVSWYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-2-16(20)19(11-14-9-6-10-21-14)17-18-15(12-22-17)13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 312.39 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 651338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).