ethyl 5-[(2-chlorophenyl)methylamino]-6-(3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate;hydrochloride

C23H23Cl2N3O3S — CID 146062430

IUPACethyl 5-[(2-chlorophenyl)methylamino]-6-(3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1sc2nc(-c3cccc(OC)c3)c(NCc3ccccc3Cl)n2c1C.Cl
InChIInChI=1S/C23H22ClN3O3S.ClH/c1-4-30-22(28)20-14(2)27-21(25-13-16-8-5-6-11-18(16)24)19(26-23(27)31-20)15-9-7-10-17(12-15)29-3;/h5-12,25H,4,13H2,1-3H3;1H
InChIKeyKHOBSODSGHFIOG-UHFFFAOYSA-N
MW492.43 g/mol
LogP6.24
Rot. Bonds7

About ethyl 5-[(2-chlorophenyl)methylamino]-6-(3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate;hydrochloride

ethyl 5-[(2-chlorophenyl)methylamino]-6-(3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate;hydrochloride (PubChem CID 146062430) has the molecular formula C23H23Cl2N3O3S and a molecular weight of 492.43 g/mol. Its IUPAC name is ethyl 5-[(2-chlorophenyl)methylamino]-6-(3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 5-[(2-chlorophenyl)methylamino]-6-(3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate;hydrochloride
PubChem CID146062430
Molecular FormulaC23H23Cl2N3O3S
Molecular Weight492.43 g/mol
Exact Mass491.08
IUPAC Nameethyl 5-[(2-chlorophenyl)methylamino]-6-(3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1sc2nc(-c3cccc(OC)c3)c(NCc3ccccc3Cl)n2c1C.Cl
InChIInChI=1S/C23H22ClN3O3S.ClH/c1-4-30-22(28)20-14(2)27-21(25-13-16-8-5-6-11-18(16)24)19(26-23(27)31-20)15-9-7-10-17(12-15)29-3;/h5-12,25H,4,13H2,1-3H3;1H
InChIKeyKHOBSODSGHFIOG-UHFFFAOYSA-N
XLogP6.24
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.43
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 6-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 53204701
ethyl 5-(benzylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 53204793
ethyl 5-[(4-fluorophenyl)methylamino]-6-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 53204751
ethyl 5-(cyclohexylamino)-6-(3,5-dimethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 53204829
ethyl 5-(cyclopentylamino)-6-(4-hydroxy-3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 53204843
ethyl 3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 3482605
ethyl 2-[(2-chlorophenyl)methylamino]-1,3-thiazole-4-carboxylate
CID 80567979
N-[(2-chlorophenyl)methyl]-3-methoxyaniline
CID 23795463
[5-[(2-chlorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-(3-methoxyphenyl)methanone
CID 5138554
(E)-3-[3-ethyl-6-(3-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 39196050
3-ethyl-6-(3-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82068817
ethyl 2-[(2-chlorophenyl)methyl]-5-hydroxy-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate
CID 68812088

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-chlorophenyl)methylamino]-6-(3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate;hydrochloride?
The IUPAC name of ethyl 5-[(2-chlorophenyl)methylamino]-6-(3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate;hydrochloride (CID 146062430) is ethyl 5-[(2-chlorophenyl)methylamino]-6-(3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 5-[(2-chlorophenyl)methylamino]-6-(3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl 5-[(2-chlorophenyl)methylamino]-6-(3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate;hydrochloride is CCOC(=O)c1sc2nc(-c3cccc(OC)c3)c(NCc3ccccc3Cl)n2c1C.Cl.
What is the InChIKey of ethyl 5-[(2-chlorophenyl)methylamino]-6-(3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate;hydrochloride?
The InChIKey is KHOBSODSGHFIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O3S.ClH/c1-4-30-22(28)20-14(2)27-21(25-13-16-8-5-6-11-18(16)24)19(26-23(27)31-20)15-9-7-10-17(12-15)29-3;/h5-12,25H,4,13H2,1-3H3;1H.
What are the key properties of ethyl 5-[(2-chlorophenyl)methylamino]-6-(3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate;hydrochloride?
ethyl 5-[(2-chlorophenyl)methylamino]-6-(3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate;hydrochloride has a molecular weight of 492.43 g/mol, XLogP of 6.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-chlorophenyl)methylamino]-6-(3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate;hydrochloride is sourced from PubChem (CID 146062430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).