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

C18H14ClN5OS2 — CID 103599303

IUPAC3-(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
SMILESCC(NC(=O)C=Cc1c(Cl)nc2sccn12)c1nc(-c2ccncc2)cs1
InChIInChI=1S/C18H14ClN5OS2/c1-11(17-22-13(10-27-17)12-4-6-20-7-5-12)21-15(25)3-2-14-16(19)23-18-24(14)8-9-26-18/h2-11H,1H3,(H,21,25)
InChIKeyCCNCMAVLCLSRSB-UHFFFAOYSA-N
MW415.93 g/mol
LogP4.46
Rot. Bonds5

About 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

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 (PubChem CID 103599303) has the molecular formula C18H14ClN5OS2 and a molecular weight of 415.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID103599303
Molecular FormulaC18H14ClN5OS2
Molecular Weight415.93 g/mol
Exact Mass415.03
IUPAC Name3-(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
SMILESCC(NC(=O)C=Cc1c(Cl)nc2sccn12)c1nc(-c2ccncc2)cs1
InChIInChI=1S/C18H14ClN5OS2/c1-11(17-22-13(10-27-17)12-4-6-20-7-5-12)21-15(25)3-2-14-16(19)23-18-24(14)8-9-26-18/h2-11H,1H3,(H,21,25)
InChIKeyCCNCMAVLCLSRSB-UHFFFAOYSA-N
XLogP4.46
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.93
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(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-(1-cyclopropylethyl)prop-2-enamide
CID 47113826
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methylprop-2-enamide
CID 60630731
(E)-N-[(1R)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 95312252
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1S)-1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]prop-2-enamide
CID 96530108
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropoxy)prop-2-enamide
CID 115409962
2-[[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]amino]acetic acid
CID 43354436
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
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
N-(2-butan-2-ylpyrazol-3-yl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
CID 78778468
(Z)-N-[(1R)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]-3-thiophen-3-ylprop-2-enamide
CID 97359861

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(NC(=O)C=Cc1c(Cl)nc2sccn12)c1nc(-c2ccncc2)cs1.
What is the InChIKey of 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?
The InChIKey is CCNCMAVLCLSRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5OS2/c1-11(17-22-13(10-27-17)12-4-6-20-7-5-12)21-15(25)3-2-14-16(19)23-18-24(14)8-9-26-18/h2-11H,1H3,(H,21,25).
What are the key properties of 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?
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 has a molecular weight of 415.93 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 103599303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).