methyl 6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate

C18H15N3O4S — CID 43049637

IUPACmethyl 6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)nc1
InChIInChI=1S/C18H15N3O4S/c1-24-13-6-3-11(4-7-13)15-10-26-18(20-15)21-16(22)14-8-5-12(9-19-14)17(23)25-2/h3-10H,1-2H3,(H,20,21,22)
InChIKeyWCFLVYKNXSHDFX-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.25
Rot. Bonds5

About methyl 6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate

methyl 6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate (PubChem CID 43049637) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is methyl 6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate
PubChem CID43049637
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC Namemethyl 6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)nc1
InChIInChI=1S/C18H15N3O4S/c1-24-13-6-3-11(4-7-13)15-10-26-18(20-15)21-16(22)14-8-5-12(9-19-14)17(23)25-2/h3-10H,1-2H3,(H,20,21,22)
InChIKeyWCFLVYKNXSHDFX-UHFFFAOYSA-N
XLogP3.25
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 6-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate
CID 32520564
methyl 6-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate
CID 30748240
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 4826765
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 17417571
3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 30435747
methane;4-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 158194768
methyl 6-[[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate
CID 30749165
4-ethoxy-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8747783
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 9192775
methyl 4-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]benzoate
CID 17424348
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(methylsulfonylmethyl)benzamide
CID 4785270
3-(4-methoxyphenyl)-4-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 139050491

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate (CID 43049637) is methyl 6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)nc1.
What is the InChIKey of methyl 6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate?
The InChIKey is WCFLVYKNXSHDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S/c1-24-13-6-3-11(4-7-13)15-10-26-18(20-15)21-16(22)14-8-5-12(9-19-14)17(23)25-2/h3-10H,1-2H3,(H,20,21,22).
What are the key properties of methyl 6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate?
methyl 6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate has a molecular weight of 369.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 43049637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).