(E)-3-(furan-2-yl)-2-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

C19H13N3O2S — CID 9344140

IUPAC(E)-3-(furan-2-yl)-2-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
SMILESN#C/C(=C\c1ccco1)c1nc(-c2ccc3c(c2)CCC(=O)N3)cs1
InChIInChI=1S/C19H13N3O2S/c20-10-14(9-15-2-1-7-24-15)19-22-17(11-25-19)13-3-5-16-12(8-13)4-6-18(23)21-16/h1-3,5,7-9,11H,4,6H2,(H,21,23)/b14-9+
InChIKeyKSAORBZGPWITLZ-NTEUORMPSA-N
MW347.40 g/mol
LogP4.35
Rot. Bonds3

About (E)-3-(furan-2-yl)-2-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

(E)-3-(furan-2-yl)-2-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]prop-2-enenitrile (PubChem CID 9344140) has the molecular formula C19H13N3O2S and a molecular weight of 347.40 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-2-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]prop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-2-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
PubChem CID9344140
Molecular FormulaC19H13N3O2S
Molecular Weight347.40 g/mol
Exact Mass347.07
IUPAC Name(E)-3-(furan-2-yl)-2-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
SMILESN#C/C(=C\c1ccco1)c1nc(-c2ccc3c(c2)CCC(=O)N3)cs1
InChIInChI=1S/C19H13N3O2S/c20-10-14(9-15-2-1-7-24-15)19-22-17(11-25-19)13-3-5-16-12(8-13)4-6-18(23)21-16/h1-3,5,7-9,11H,4,6H2,(H,21,23)/b14-9+
InChIKeyKSAORBZGPWITLZ-NTEUORMPSA-N
XLogP4.35
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile
CID 7070992
2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile
CID 2856446
(Z)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile
CID 7372709
6-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 95475662
4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrimidine-2-carbonitrile
CID 116900840
(2E,4E)-5-(furan-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)penta-2,4-dienenitrile
CID 2212670
2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazole-4-carbonitrile
CID 116889922
(E)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[5-(4-methylphenyl)furan-2-yl]prop-2-enenitrile
CID 7172716
5-(furan-2-yl)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]penta-2,4-dienenitrile
CID 1299452
(2E,4E)-5-(furan-2-yl)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]penta-2,4-dienenitrile
CID 1299454
6-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 58910717
6-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343413

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-2-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]prop-2-enenitrile?
The IUPAC name of (E)-3-(furan-2-yl)-2-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]prop-2-enenitrile (CID 9344140) is (E)-3-(furan-2-yl)-2-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]prop-2-enenitrile.
What is the SMILES notation for (E)-3-(furan-2-yl)-2-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]prop-2-enenitrile?
The canonical SMILES for (E)-3-(furan-2-yl)-2-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is N#C/C(=C\c1ccco1)c1nc(-c2ccc3c(c2)CCC(=O)N3)cs1.
What is the InChIKey of (E)-3-(furan-2-yl)-2-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]prop-2-enenitrile?
The InChIKey is KSAORBZGPWITLZ-NTEUORMPSA-N. The full InChI is InChI=1S/C19H13N3O2S/c20-10-14(9-15-2-1-7-24-15)19-22-17(11-25-19)13-3-5-16-12(8-13)4-6-18(23)21-16/h1-3,5,7-9,11H,4,6H2,(H,21,23)/b14-9+.
What are the key properties of (E)-3-(furan-2-yl)-2-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]prop-2-enenitrile?
(E)-3-(furan-2-yl)-2-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]prop-2-enenitrile has a molecular weight of 347.40 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-2-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is sourced from PubChem (CID 9344140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).