2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-(4-methoxy-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

C22H22N4O2S — CID 53172975

IUPAC2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-(4-methoxy-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCn1cc(-c2nc(C)c(C(=O)Nc3ccc(OC)cc3C)s2)c2cccnc21
InChIInChI=1S/C22H22N4O2S/c1-5-26-12-17(16-7-6-10-23-20(16)26)22-24-14(3)19(29-22)21(27)25-18-9-8-15(28-4)11-13(18)2/h6-12H,5H2,1-4H3,(H,25,27)
InChIKeyWJLZRDPPQJYHNT-UHFFFAOYSA-N
MW406.51 g/mol
LogP5.06
Rot. Bonds5

About 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-(4-methoxy-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-(4-methoxy-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 53172975) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-(4-methoxy-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-(4-methoxy-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID53172975
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC Name2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-(4-methoxy-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCn1cc(-c2nc(C)c(C(=O)Nc3ccc(OC)cc3C)s2)c2cccnc21
InChIInChI=1S/C22H22N4O2S/c1-5-26-12-17(16-7-6-10-23-20(16)26)22-24-14(3)19(29-22)21(27)25-18-9-8-15(28-4)11-13(18)2/h6-12H,5H2,1-4H3,(H,25,27)
InChIKeyWJLZRDPPQJYHNT-UHFFFAOYSA-N
XLogP5.06
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.51
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxyphenyl)-4-methyl-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide
CID 53172890
N-(4-methoxyphenyl)-4-methyl-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide
CID 53172996
4-methyl-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-propyl-1,3-thiazole-5-carboxamide
CID 53172982
4-methyl-N-(3-methylbutyl)-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide
CID 53172983
2-amino-N-(4-methoxy-2-methylphenyl)pyridine-3-carboxamide
CID 55138314
N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-methoxybenzamide
CID 53144995
2-fluoro-N-(4-methoxy-2-methylphenyl)pyridine-3-carboxamide
CID 114037696
2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 53173158
2-amino-N-(2-methoxy-3-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55115300
2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(3-fluoro-4-methoxyphenyl)acetamide
CID 53173071
2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(2-fluoro-5-methylphenyl)acetamide
CID 53173066
2-amino-4-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxamide
CID 62792917

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-(4-methoxy-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-(4-methoxy-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 53172975) is 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-(4-methoxy-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-(4-methoxy-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-(4-methoxy-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is CCn1cc(-c2nc(C)c(C(=O)Nc3ccc(OC)cc3C)s2)c2cccnc21.
What is the InChIKey of 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-(4-methoxy-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is WJLZRDPPQJYHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-5-26-12-17(16-7-6-10-23-20(16)26)22-24-14(3)19(29-22)21(27)25-18-9-8-15(28-4)11-13(18)2/h6-12H,5H2,1-4H3,(H,25,27).
What are the key properties of 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-(4-methoxy-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-(4-methoxy-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-(4-methoxy-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53172975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).