methyl 6-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate

C19H17N3O5S — CID 30748240

IUPACmethyl 6-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)nc1
InChIInChI=1S/C19H17N3O5S/c1-25-12-5-7-16(26-2)13(8-12)15-10-28-19(21-15)22-17(23)14-6-4-11(9-20-14)18(24)27-3/h4-10H,1-3H3,(H,21,22,23)
InChIKeyYOGJMOBCVSGKGS-UHFFFAOYSA-N
MW399.43 g/mol
LogP3.26
Rot. Bonds6

About methyl 6-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate

methyl 6-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate (PubChem CID 30748240) has the molecular formula C19H17N3O5S and a molecular weight of 399.43 g/mol. Its IUPAC name is methyl 6-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate
PubChem CID30748240
Molecular FormulaC19H17N3O5S
Molecular Weight399.43 g/mol
Exact Mass399.09
IUPAC Namemethyl 6-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)nc1
InChIInChI=1S/C19H17N3O5S/c1-25-12-5-7-16(26-2)13(8-12)15-10-28-19(21-15)22-17(23)14-6-4-11(9-20-14)18(24)27-3/h4-10H,1-3H3,(H,21,22,23)
InChIKeyYOGJMOBCVSGKGS-UHFFFAOYSA-N
XLogP3.26
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate
CID 43049637
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide
CID 7924940
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide
CID 17416997
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 3914278
2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
CID 3422188
methyl 6-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate
CID 32520564
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-ethylbenzamide
CID 3255300
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 8873073
4-tert-butyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3561344
methyl 4-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate
CID 26723703
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-methylpropanoylamino)benzamide
CID 39092880

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate (CID 30748240) is methyl 6-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)nc1.
What is the InChIKey of methyl 6-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate?
The InChIKey is YOGJMOBCVSGKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5S/c1-25-12-5-7-16(26-2)13(8-12)15-10-28-19(21-15)22-17(23)14-6-4-11(9-20-14)18(24)27-3/h4-10H,1-3H3,(H,21,22,23).
What are the key properties of methyl 6-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate?
methyl 6-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate has a molecular weight of 399.43 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 30748240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).