methyl 4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-5-carboxylate

C14H15ClN2O3S — CID 47049251

IUPACmethyl 4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N(C)Cc2ccccc2OC)nc1Cl
InChIInChI=1S/C14H15ClN2O3S/c1-17(8-9-6-4-5-7-10(9)19-2)14-16-12(15)11(21-14)13(18)20-3/h4-7H,8H2,1-3H3
InChIKeyFSHROXFFCWSQQQ-UHFFFAOYSA-N
MW326.81 g/mol
LogP3.23
Rot. Bonds5

About methyl 4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-5-carboxylate (PubChem CID 47049251) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is methyl 4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-5-carboxylate
PubChem CID47049251
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Namemethyl 4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N(C)Cc2ccccc2OC)nc1Cl
InChIInChI=1S/C14H15ClN2O3S/c1-17(8-9-6-4-5-7-10(9)19-2)14-16-12(15)11(21-14)13(18)20-3/h4-7H,8H2,1-3H3
InChIKeyFSHROXFFCWSQQQ-UHFFFAOYSA-N
XLogP3.23
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-5-carboxylate (CID 47049251) is methyl 4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(N(C)Cc2ccccc2OC)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-5-carboxylate?
The InChIKey is FSHROXFFCWSQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-17(8-9-6-4-5-7-10(9)19-2)14-16-12(15)11(21-14)13(18)20-3/h4-7H,8H2,1-3H3.
What are the key properties of methyl 4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-5-carboxylate has a molecular weight of 326.81 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 47049251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).