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

C16H14N2O2S — CID 18132565

IUPAC3-(furan-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1ccco1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H14N2O2S/c19-15(9-8-13-7-4-10-20-13)18-16-17-14(11-21-16)12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,17,18,19)
InChIKeyZQOTWRRGAAXBIB-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.97
Rot. Bonds5

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

3-(furan-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (PubChem CID 18132565) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
PubChem CID18132565
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name3-(furan-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1ccco1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H14N2O2S/c19-15(9-8-13-7-4-10-20-13)18-16-17-14(11-21-16)12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,17,18,19)
InChIKeyZQOTWRRGAAXBIB-UHFFFAOYSA-N
XLogP3.97
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(furan-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (CID 18132565) is 3-(furan-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(furan-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is O=C(CCc1ccco1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-(furan-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is ZQOTWRRGAAXBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-15(9-8-13-7-4-10-20-13)18-16-17-14(11-21-16)12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,17,18,19).
What are the key properties of 3-(furan-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
3-(furan-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 298.37 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 18132565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).