3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]prop-2-enamide

C19H17ClN4O2S — CID 76863723

IUPAC3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]prop-2-enamide
SMILESCC(NC(=O)C=Cc1c(Cl)nc2sccn12)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C19H17ClN4O2S/c1-11(12-2-4-14-13(10-12)3-6-17(26)22-14)21-16(25)7-5-15-18(20)23-19-24(15)8-9-27-19/h2,4-5,7-11H,3,6H2,1H3,(H,21,25)(H,22,26)
InChIKeyNPJPRFGYIOWMNC-UHFFFAOYSA-N
MW400.89 g/mol
LogP3.82
Rot. Bonds4

About 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]prop-2-enamide

3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]prop-2-enamide (PubChem CID 76863723) has the molecular formula C19H17ClN4O2S and a molecular weight of 400.89 g/mol. Its IUPAC name is 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]prop-2-enamide
PubChem CID76863723
Molecular FormulaC19H17ClN4O2S
Molecular Weight400.89 g/mol
Exact Mass400.08
IUPAC Name3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]prop-2-enamide
SMILESCC(NC(=O)C=Cc1c(Cl)nc2sccn12)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C19H17ClN4O2S/c1-11(12-2-4-14-13(10-12)3-6-17(26)22-14)21-16(25)7-5-15-18(20)23-19-24(15)8-9-27-19/h2,4-5,7-11H,3,6H2,1H3,(H,21,25)(H,22,26)
InChIKeyNPJPRFGYIOWMNC-UHFFFAOYSA-N
XLogP3.82
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-benzothiazol-2-yl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]prop-2-enamide
CID 76863740
(E)-N-[(2R)-butan-2-yl]-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
CID 94187219
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methylprop-2-enamide
CID 60630731
3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]prop-2-enamide
CID 103599303
1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 94048141
1-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopropane-1-carboxamide
CID 119729776
1-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
CID 94152809
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropoxy)prop-2-enamide
CID 115409962
4-(methylamino)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butanamide
CID 119729786
2-[[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]amino]acetic acid
CID 43354436
2-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoylamino]-4-hydroxybutanoic acid
CID 61244376
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-chlorophenyl)prop-2-enamide
CID 36678294

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]prop-2-enamide?
The IUPAC name of 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]prop-2-enamide (CID 76863723) is 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]prop-2-enamide.
What is the SMILES notation for 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]prop-2-enamide?
The canonical SMILES for 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]prop-2-enamide is CC(NC(=O)C=Cc1c(Cl)nc2sccn12)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]prop-2-enamide?
The InChIKey is NPJPRFGYIOWMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2S/c1-11(12-2-4-14-13(10-12)3-6-17(26)22-14)21-16(25)7-5-15-18(20)23-19-24(15)8-9-27-19/h2,4-5,7-11H,3,6H2,1H3,(H,21,25)(H,22,26).
What are the key properties of 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]prop-2-enamide?
3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]prop-2-enamide has a molecular weight of 400.89 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 76863723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).