[4-(methanesulfonamido)phenyl] (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate

C15H12ClN3O4S2 — CID 60528027

IUPAC[4-(methanesulfonamido)phenyl] (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate
SMILESCS(=O)(=O)Nc1ccc(OC(=O)/C=C/c2c(Cl)nc3sccn23)cc1
InChIInChI=1S/C15H12ClN3O4S2/c1-25(21,22)18-10-2-4-11(5-3-10)23-13(20)7-6-12-14(16)17-15-19(12)8-9-24-15/h2-9,18H,1H3/b7-6+
InChIKeyICIRICDFOOVOFH-VOTSOKGWSA-N
MW397.87 g/mol
LogP3.04
Rot. Bonds5

About [4-(methanesulfonamido)phenyl] (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate

[4-(methanesulfonamido)phenyl] (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate (PubChem CID 60528027) has the molecular formula C15H12ClN3O4S2 and a molecular weight of 397.87 g/mol. Its IUPAC name is [4-(methanesulfonamido)phenyl] (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate.

Molecular Properties

Compound Name[4-(methanesulfonamido)phenyl] (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate
PubChem CID60528027
Molecular FormulaC15H12ClN3O4S2
Molecular Weight397.87 g/mol
Exact Mass397.00
IUPAC Name[4-(methanesulfonamido)phenyl] (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate
SMILESCS(=O)(=O)Nc1ccc(OC(=O)/C=C/c2c(Cl)nc3sccn23)cc1
InChIInChI=1S/C15H12ClN3O4S2/c1-25(21,22)18-10-2-4-11(5-3-10)23-13(20)7-6-12-14(16)17-15-19(12)8-9-24-15/h2-9,18H,1H3/b7-6+
InChIKeyICIRICDFOOVOFH-VOTSOKGWSA-N
XLogP3.04
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 8856869
[2-(4-methylanilino)-2-oxoethyl] 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate
CID 76854583
(3-carbamoylphenyl) (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate
CID 87014064
(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-chloro-4-methoxyphenyl)prop-2-enamide
CID 37345715
3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N'-(4-fluorophenyl)prop-2-enehydrazide
CID 71903964
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(2,5-dimethoxyphenyl)prop-2-en-1-one
CID 8859633
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-(2,5-diethoxyphenyl)prop-2-enamide
CID 34728501
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropoxy)prop-2-enamide
CID 115409962
(Z)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-cyclopropylprop-2-enamide
CID 97305767
(E)-N-[(2R)-butan-2-yl]-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
CID 94187219

Frequently Asked Questions

What is the IUPAC name of [4-(methanesulfonamido)phenyl] (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate?
The IUPAC name of [4-(methanesulfonamido)phenyl] (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate (CID 60528027) is [4-(methanesulfonamido)phenyl] (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate.
What is the SMILES notation for [4-(methanesulfonamido)phenyl] (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate?
The canonical SMILES for [4-(methanesulfonamido)phenyl] (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate is CS(=O)(=O)Nc1ccc(OC(=O)/C=C/c2c(Cl)nc3sccn23)cc1.
What is the InChIKey of [4-(methanesulfonamido)phenyl] (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate?
The InChIKey is ICIRICDFOOVOFH-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H12ClN3O4S2/c1-25(21,22)18-10-2-4-11(5-3-10)23-13(20)7-6-12-14(16)17-15-19(12)8-9-24-15/h2-9,18H,1H3/b7-6+.
What are the key properties of [4-(methanesulfonamido)phenyl] (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate?
[4-(methanesulfonamido)phenyl] (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate has a molecular weight of 397.87 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methanesulfonamido)phenyl] (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate is sourced from PubChem (CID 60528027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).