(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)prop-2-enamide

C16H14ClN3OS2 — CID 37484172

IUPAC(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)nc2sccn12)N(Cc1cccs1)C1CC1
InChIInChI=1S/C16H14ClN3OS2/c17-15-13(19-7-9-23-16(19)18-15)5-6-14(21)20(11-3-4-11)10-12-2-1-8-22-12/h1-2,5-9,11H,3-4,10H2/b6-5+
InChIKeyQTFAQSDTSXPQLJ-AATRIKPKSA-N
MW363.90 g/mol
LogP4.32
Rot. Bonds5

About (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)prop-2-enamide

(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)prop-2-enamide (PubChem CID 37484172) has the molecular formula C16H14ClN3OS2 and a molecular weight of 363.90 g/mol. Its IUPAC name is (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)prop-2-enamide
PubChem CID37484172
Molecular FormulaC16H14ClN3OS2
Molecular Weight363.90 g/mol
Exact Mass363.03
IUPAC Name(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)nc2sccn12)N(Cc1cccs1)C1CC1
InChIInChI=1S/C16H14ClN3OS2/c17-15-13(19-7-9-23-16(19)18-15)5-6-14(21)20(11-3-4-11)10-12-2-1-8-22-12/h1-2,5-9,11H,3-4,10H2/b6-5+
InChIKeyQTFAQSDTSXPQLJ-AATRIKPKSA-N
XLogP4.32
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.90
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 32983057
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methyl-N-phenylprop-2-enamide
CID 36676334
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-methylprop-2-enamide
CID 78768505
(E)-N-cyclopropyl-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 134004593
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methyl-N-(2-methylpropyl)prop-2-enamide
CID 47163397
3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylprop-2-enamide
CID 79291152
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]prop-2-enamide
CID 36784453
3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide
CID 77045816
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]prop-2-en-1-one
CID 60957370
(E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 134004442
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)prop-2-enamide
CID 32993456
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(4-phenylpiperidin-1-yl)prop-2-en-1-one
CID 39580904

Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)prop-2-enamide (CID 37484172) is (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)prop-2-enamide is O=C(/C=C/c1c(Cl)nc2sccn12)N(Cc1cccs1)C1CC1.
What is the InChIKey of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)prop-2-enamide?
The InChIKey is QTFAQSDTSXPQLJ-AATRIKPKSA-N. The full InChI is InChI=1S/C16H14ClN3OS2/c17-15-13(19-7-9-23-16(19)18-15)5-6-14(21)20(11-3-4-11)10-12-2-1-8-22-12/h1-2,5-9,11H,3-4,10H2/b6-5+.
What are the key properties of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)prop-2-enamide?
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)prop-2-enamide has a molecular weight of 363.90 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 37484172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).