(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]prop-2-enamide

C19H20ClN3O2S — CID 33157636

IUPAC(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]prop-2-enamide
SMILESCC(C)Oc1ccc(CCNC(=O)/C=C/c2c(Cl)nc3sccn23)cc1
InChIInChI=1S/C19H20ClN3O2S/c1-13(2)25-15-5-3-14(4-6-15)9-10-21-17(24)8-7-16-18(20)22-19-23(16)11-12-26-19/h3-8,11-13H,9-10H2,1-2H3,(H,21,24)/b8-7+
InChIKeyYVCNIQOTLYSTAQ-BQYQJAHWSA-N
MW389.91 g/mol
LogP4.21
Rot. Bonds7

About (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]prop-2-enamide

(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]prop-2-enamide (PubChem CID 33157636) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]prop-2-enamide
PubChem CID33157636
Molecular FormulaC19H20ClN3O2S
Molecular Weight389.91 g/mol
Exact Mass389.10
IUPAC Name(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]prop-2-enamide
SMILESCC(C)Oc1ccc(CCNC(=O)/C=C/c2c(Cl)nc3sccn23)cc1
InChIInChI=1S/C19H20ClN3O2S/c1-13(2)25-15-5-3-14(4-6-15)9-10-21-17(24)8-7-16-18(20)22-19-23(16)11-12-26-19/h3-8,11-13H,9-10H2,1-2H3,(H,21,24)/b8-7+
InChIKeyYVCNIQOTLYSTAQ-BQYQJAHWSA-N
XLogP4.21
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 54.21
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

(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(3-phenylpropyl)prop-2-enamide
CID 32979324
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide
CID 103861432
2-[[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]amino]acetic acid
CID 43354436
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(E)-pent-3-enyl]prop-2-enamide
CID 115628070
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(3-hydroxy-4-methoxybutyl)prop-2-enamide
CID 103877078
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
CID 39897509
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropoxy)prop-2-enamide
CID 115409962
(E)-N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
CID 86907335
(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
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]prop-2-enamide
CID 134013581
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-ethylphenyl)prop-2-enamide
CID 37345011

Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]prop-2-enamide (CID 33157636) is (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]prop-2-enamide is CC(C)Oc1ccc(CCNC(=O)/C=C/c2c(Cl)nc3sccn23)cc1.
What is the InChIKey of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]prop-2-enamide?
The InChIKey is YVCNIQOTLYSTAQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H20ClN3O2S/c1-13(2)25-15-5-3-14(4-6-15)9-10-21-17(24)8-7-16-18(20)22-19-23(16)11-12-26-19/h3-8,11-13H,9-10H2,1-2H3,(H,21,24)/b8-7+.
What are the key properties of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]prop-2-enamide?
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]prop-2-enamide has a molecular weight of 389.91 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 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-[2-(4-propan-2-yloxyphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 33157636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).