N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-propoxyquinolin-3-yl)prop-2-enamide

C18H19N3O2S — CID 71904142

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-propoxyquinolin-3-yl)prop-2-enamide
SMILESCCCOc1nc2ccccc2cc1C=CC(=O)NC1=NCCS1
InChIInChI=1S/C18H19N3O2S/c1-2-10-23-17-14(12-13-5-3-4-6-15(13)20-17)7-8-16(22)21-18-19-9-11-24-18/h3-8,12H,2,9-11H2,1H3,(H,19,21,22)
InChIKeyFDOCVUWRAUMZOV-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.26
Rot. Bonds5

About N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-propoxyquinolin-3-yl)prop-2-enamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-propoxyquinolin-3-yl)prop-2-enamide (PubChem CID 71904142) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-propoxyquinolin-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-propoxyquinolin-3-yl)prop-2-enamide
PubChem CID71904142
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-propoxyquinolin-3-yl)prop-2-enamide
SMILESCCCOc1nc2ccccc2cc1C=CC(=O)NC1=NCCS1
InChIInChI=1S/C18H19N3O2S/c1-2-10-23-17-14(12-13-5-3-4-6-15(13)20-17)7-8-16(22)21-18-19-9-11-24-18/h3-8,12H,2,9-11H2,1H3,(H,19,21,22)
InChIKeyFDOCVUWRAUMZOV-UHFFFAOYSA-N
XLogP3.26
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-(2-propoxyquinolin-3-yl)prop-2-enamide
CID 78773841
(E)-3-(2-propoxyquinolin-3-yl)-N-prop-2-ynylprop-2-enamide
CID 78792612
1-(4-hydroxypiperidin-1-yl)-3-(2-propoxyquinolin-3-yl)prop-2-en-1-one
CID 110883892
(E)-3-(2-propoxyquinolin-3-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one
CID 78826590
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 3666645
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 3565725
(E)-3-(2-methoxyquinolin-3-yl)prop-2-enoate
CID 7042099
N-naphthalen-1-yl-3-(2-propoxyphenyl)prop-2-enamide
CID 4089044
3-(1,3-benzothiazol-2-yl)-N-(2-propoxyphenyl)prop-2-enamide
CID 76856997
3-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-4-propoxybenzamide
CID 17391545
N-(3,5-dichlorophenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4278421
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylquinoline-4-carboxamide
CID 2117314

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-propoxyquinolin-3-yl)prop-2-enamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-propoxyquinolin-3-yl)prop-2-enamide (CID 71904142) is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-propoxyquinolin-3-yl)prop-2-enamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-propoxyquinolin-3-yl)prop-2-enamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-propoxyquinolin-3-yl)prop-2-enamide is CCCOc1nc2ccccc2cc1C=CC(=O)NC1=NCCS1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-propoxyquinolin-3-yl)prop-2-enamide?
The InChIKey is FDOCVUWRAUMZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-2-10-23-17-14(12-13-5-3-4-6-15(13)20-17)7-8-16(22)21-18-19-9-11-24-18/h3-8,12H,2,9-11H2,1H3,(H,19,21,22).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-propoxyquinolin-3-yl)prop-2-enamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-propoxyquinolin-3-yl)prop-2-enamide has a molecular weight of 341.44 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-propoxyquinolin-3-yl)prop-2-enamide is sourced from PubChem (CID 71904142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).