(Z)-3-(furan-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide

C20H14N2O2S — CID 2312168

IUPAC(Z)-3-(furan-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(/C=C\c1ccco1)Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C20H14N2O2S/c23-19(10-9-17-6-3-11-24-17)22-20-21-18(13-25-20)16-8-7-14-4-1-2-5-15(14)12-16/h1-13H,(H,21,22,23)/b10-9-
InChIKeyGSTDQHWHPPSKIR-KTKRTIGZSA-N
MW346.41 g/mol
LogP5.21
Rot. Bonds4

About (Z)-3-(furan-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide

(Z)-3-(furan-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 2312168) has the molecular formula C20H14N2O2S and a molecular weight of 346.41 g/mol. Its IUPAC name is (Z)-3-(furan-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(furan-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
PubChem CID2312168
Molecular FormulaC20H14N2O2S
Molecular Weight346.41 g/mol
Exact Mass346.08
IUPAC Name(Z)-3-(furan-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(/C=C\c1ccco1)Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C20H14N2O2S/c23-19(10-9-17-6-3-11-24-17)22-20-21-18(13-25-20)16-8-7-14-4-1-2-5-15(14)12-16/h1-13H,(H,21,22,23)/b10-9-
InChIKeyGSTDQHWHPPSKIR-KTKRTIGZSA-N
XLogP5.21
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.41
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(furan-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (Z)-3-(furan-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide (CID 2312168) is (Z)-3-(furan-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(furan-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-3-(furan-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide is O=C(/C=C\c1ccco1)Nc1nc(-c2ccc3ccccc3c2)cs1.
What is the InChIKey of (Z)-3-(furan-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is GSTDQHWHPPSKIR-KTKRTIGZSA-N. The full InChI is InChI=1S/C20H14N2O2S/c23-19(10-9-17-6-3-11-24-17)22-20-21-18(13-25-20)16-8-7-14-4-1-2-5-15(14)12-16/h1-13H,(H,21,22,23)/b10-9-.
What are the key properties of (Z)-3-(furan-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide?
(Z)-3-(furan-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 346.41 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(furan-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 2312168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).