(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(8-methylquinolin-5-yl)prop-2-enamide

C18H13ClN4OS — CID 38267815

IUPAC(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(8-methylquinolin-5-yl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2c(Cl)nc3sccn23)c2cccnc12
InChIInChI=1S/C18H13ClN4OS/c1-11-4-5-13(12-3-2-8-20-16(11)12)21-15(24)7-6-14-17(19)22-18-23(14)9-10-25-18/h2-10H,1H3,(H,21,24)/b7-6+
InChIKeyOXYNMKTZGJGCBB-VOTSOKGWSA-N
MW368.85 g/mol
LogP4.56
Rot. Bonds3

About (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(8-methylquinolin-5-yl)prop-2-enamide

(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(8-methylquinolin-5-yl)prop-2-enamide (PubChem CID 38267815) has the molecular formula C18H13ClN4OS and a molecular weight of 368.85 g/mol. Its IUPAC name is (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(8-methylquinolin-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(8-methylquinolin-5-yl)prop-2-enamide
PubChem CID38267815
Molecular FormulaC18H13ClN4OS
Molecular Weight368.85 g/mol
Exact Mass368.05
IUPAC Name(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(8-methylquinolin-5-yl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2c(Cl)nc3sccn23)c2cccnc12
InChIInChI=1S/C18H13ClN4OS/c1-11-4-5-13(12-3-2-8-20-16(11)12)21-15(24)7-6-14-17(19)22-18-23(14)9-10-25-18/h2-10H,1H3,(H,21,24)/b7-6+
InChIKeyOXYNMKTZGJGCBB-VOTSOKGWSA-N
XLogP4.56
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.85
LogP ≤ 54.56
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(8-methylquinolin-5-yl)prop-2-enamide?
The IUPAC name of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(8-methylquinolin-5-yl)prop-2-enamide (CID 38267815) is (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(8-methylquinolin-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(8-methylquinolin-5-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(8-methylquinolin-5-yl)prop-2-enamide is Cc1ccc(NC(=O)/C=C/c2c(Cl)nc3sccn23)c2cccnc12.
What is the InChIKey of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(8-methylquinolin-5-yl)prop-2-enamide?
The InChIKey is OXYNMKTZGJGCBB-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H13ClN4OS/c1-11-4-5-13(12-3-2-8-20-16(11)12)21-15(24)7-6-14-17(19)22-18-23(14)9-10-25-18/h2-10H,1H3,(H,21,24)/b7-6+.
What are the key properties of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(8-methylquinolin-5-yl)prop-2-enamide?
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(8-methylquinolin-5-yl)prop-2-enamide has a molecular weight of 368.85 g/mol, XLogP of 4.56, 3 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-(8-methylquinolin-5-yl)prop-2-enamide is sourced from PubChem (CID 38267815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).