N-(3-methoxyphenyl)-4-methyl-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide

C20H18N4O2S — CID 53172890

IUPACN-(3-methoxyphenyl)-4-methyl-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2sc(-c3cn(C)c4ncccc34)nc2C)c1
InChIInChI=1S/C20H18N4O2S/c1-12-17(19(25)23-13-6-4-7-14(10-13)26-3)27-20(22-12)16-11-24(2)18-15(16)8-5-9-21-18/h4-11H,1-3H3,(H,23,25)
InChIKeyYQAIBOKSQAHOFH-UHFFFAOYSA-N
MW378.46 g/mol
LogP4.27
Rot. Bonds4

About N-(3-methoxyphenyl)-4-methyl-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide

N-(3-methoxyphenyl)-4-methyl-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 53172890) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-methyl-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-methyl-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID53172890
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC NameN-(3-methoxyphenyl)-4-methyl-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2sc(-c3cn(C)c4ncccc34)nc2C)c1
InChIInChI=1S/C20H18N4O2S/c1-12-17(19(25)23-13-6-4-7-14(10-13)26-3)27-20(22-12)16-11-24(2)18-15(16)8-5-9-21-18/h4-11H,1-3H3,(H,23,25)
InChIKeyYQAIBOKSQAHOFH-UHFFFAOYSA-N
XLogP4.27
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-4-methyl-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide
CID 53172996
2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-(4-methoxy-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53172975
2-chloro-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 850554
N-(3-methoxyphenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897062
2-(methoxymethyl)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110374885
2-(4-fluoroanilino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142312
2-(cyclohexanecarbonylamino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468236
N-(3-cyanophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide
CID 53173117
4-methyl-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-propyl-1,3-thiazole-5-carboxamide
CID 53172982
2-(5-methoxy-1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-thiadiazole
CID 164946340
4-methyl-N-(3-methylbutyl)-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide
CID 53172983
2-[(4-tert-butylphenoxy)methyl]-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 35270851

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-methyl-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-4-methyl-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide (CID 53172890) is N-(3-methoxyphenyl)-4-methyl-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-methyl-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-methyl-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide is COc1cccc(NC(=O)c2sc(-c3cn(C)c4ncccc34)nc2C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-methyl-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is YQAIBOKSQAHOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-12-17(19(25)23-13-6-4-7-14(10-13)26-3)27-20(22-12)16-11-24(2)18-15(16)8-5-9-21-18/h4-11H,1-3H3,(H,23,25).
What are the key properties of N-(3-methoxyphenyl)-4-methyl-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide?
N-(3-methoxyphenyl)-4-methyl-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 378.46 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-methyl-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53172890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).