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

C18H14ClN3O4S — CID 32520564

IUPACmethyl 6-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OC)c(Cl)c3)cs2)nc1
InChIInChI=1S/C18H14ClN3O4S/c1-25-15-6-4-10(7-12(15)19)14-9-27-18(21-14)22-16(23)13-5-3-11(8-20-13)17(24)26-2/h3-9H,1-2H3,(H,21,22,23)
InChIKeyIBXQOLNAEWUWQH-UHFFFAOYSA-N
MW403.85 g/mol
LogP3.91
Rot. Bonds5

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

methyl 6-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate (PubChem CID 32520564) has the molecular formula C18H14ClN3O4S and a molecular weight of 403.85 g/mol. Its IUPAC name is methyl 6-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate
PubChem CID32520564
Molecular FormulaC18H14ClN3O4S
Molecular Weight403.85 g/mol
Exact Mass403.04
IUPAC Namemethyl 6-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OC)c(Cl)c3)cs2)nc1
InChIInChI=1S/C18H14ClN3O4S/c1-25-15-6-4-10(7-12(15)19)14-9-27-18(21-14)22-16(23)13-5-3-11(8-20-13)17(24)26-2/h3-9H,1-2H3,(H,21,22,23)
InChIKeyIBXQOLNAEWUWQH-UHFFFAOYSA-N
XLogP3.91
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.85
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

methyl 6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate
CID 43049637
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33172817
4-chloro-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 28550985
3-chloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 6491053
methyl 6-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate
CID 30748240
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 7603429
2-chloro-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 32696321
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide
CID 41221106
4-(2-amino-2-oxoethoxy)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 27446268
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
CID 28550562
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 55447891
5-(4-acetylphenyl)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 16562237

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate (CID 32520564) is methyl 6-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OC)c(Cl)c3)cs2)nc1.
What is the InChIKey of methyl 6-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate?
The InChIKey is IBXQOLNAEWUWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O4S/c1-25-15-6-4-10(7-12(15)19)14-9-27-18(21-14)22-16(23)13-5-3-11(8-20-13)17(24)26-2/h3-9H,1-2H3,(H,21,22,23).
What are the key properties of methyl 6-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate?
methyl 6-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate has a molecular weight of 403.85 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 32520564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).