methyl 4-chloro-2-(3-pyridin-2-yloxyanilino)-1,3-thiazole-5-carboxylate

C16H12ClN3O3S — CID 133428247

IUPACmethyl 4-chloro-2-(3-pyridin-2-yloxyanilino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Nc2cccc(Oc3ccccn3)c2)nc1Cl
InChIInChI=1S/C16H12ClN3O3S/c1-22-15(21)13-14(17)20-16(24-13)19-10-5-4-6-11(9-10)23-12-7-2-3-8-18-12/h2-9H,1H3,(H,19,20)
InChIKeyWTIDDYMBIPAFGN-UHFFFAOYSA-N
MW361.81 g/mol
LogP4.51
Rot. Bonds5

About methyl 4-chloro-2-(3-pyridin-2-yloxyanilino)-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-(3-pyridin-2-yloxyanilino)-1,3-thiazole-5-carboxylate (PubChem CID 133428247) has the molecular formula C16H12ClN3O3S and a molecular weight of 361.81 g/mol. Its IUPAC name is methyl 4-chloro-2-(3-pyridin-2-yloxyanilino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-(3-pyridin-2-yloxyanilino)-1,3-thiazole-5-carboxylate
PubChem CID133428247
Molecular FormulaC16H12ClN3O3S
Molecular Weight361.81 g/mol
Exact Mass361.03
IUPAC Namemethyl 4-chloro-2-(3-pyridin-2-yloxyanilino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Nc2cccc(Oc3ccccn3)c2)nc1Cl
InChIInChI=1S/C16H12ClN3O3S/c1-22-15(21)13-14(17)20-16(24-13)19-10-5-4-6-11(9-10)23-12-7-2-3-8-18-12/h2-9H,1H3,(H,19,20)
InChIKeyWTIDDYMBIPAFGN-UHFFFAOYSA-N
XLogP4.51
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.81
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-chloro-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylate
CID 60846127
methyl 2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 78916420
methyl 4-chloro-2-(4-fluoroanilino)-1,3-thiazole-5-carboxylate
CID 60845269
methyl 4-chloro-2-(3-chloro-4-fluoroanilino)-1,3-thiazole-5-carboxylate
CID 60823390
methyl 2-(3-ethoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 80569757
methyl 4-chloro-2-(3,4-dicyanoanilino)-1,3-thiazole-5-carboxylate
CID 107792352
methyl 2-(4-bromoanilino)-4-chloro-1,3-thiazole-5-carboxylate
CID 60844908
methyl 2-(4-bromo-3-iodoanilino)-4-chloro-1,3-thiazole-5-carboxylate
CID 114261157
methyl 4-chloro-2-(2-methylanilino)-1,3-thiazole-5-carboxylate
CID 60823388
methyl 4-chloro-2-(3-fluorophenoxy)-1,3-thiazole-5-carboxylate
CID 54915221
methyl 4-chloro-2-(3-propan-2-ylphenoxy)-1,3-thiazole-5-carboxylate
CID 61037210
methyl 4-chloro-2-(isoquinolin-5-ylamino)-1,3-thiazole-5-carboxylate
CID 60845100

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-(3-pyridin-2-yloxyanilino)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-(3-pyridin-2-yloxyanilino)-1,3-thiazole-5-carboxylate (CID 133428247) is methyl 4-chloro-2-(3-pyridin-2-yloxyanilino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-(3-pyridin-2-yloxyanilino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-(3-pyridin-2-yloxyanilino)-1,3-thiazole-5-carboxylate is COC(=O)c1sc(Nc2cccc(Oc3ccccn3)c2)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-(3-pyridin-2-yloxyanilino)-1,3-thiazole-5-carboxylate?
The InChIKey is WTIDDYMBIPAFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3S/c1-22-15(21)13-14(17)20-16(24-13)19-10-5-4-6-11(9-10)23-12-7-2-3-8-18-12/h2-9H,1H3,(H,19,20).
What are the key properties of methyl 4-chloro-2-(3-pyridin-2-yloxyanilino)-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-(3-pyridin-2-yloxyanilino)-1,3-thiazole-5-carboxylate has a molecular weight of 361.81 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-(3-pyridin-2-yloxyanilino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 133428247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).