2-(3-methoxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide

C19H16N4O2S — CID 11581362

IUPAC2-(3-methoxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1cccc(CC(=O)Nc2nc(-c3c[nH]c4ncccc34)cs2)c1
InChIInChI=1S/C19H16N4O2S/c1-25-13-5-2-4-12(8-13)9-17(24)23-19-22-16(11-26-19)15-10-21-18-14(15)6-3-7-20-18/h2-8,10-11H,9H2,1H3,(H,20,21)(H,22,23,24)
InChIKeyRYOOGRGXRNFQLG-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.88
Rot. Bonds5

About 2-(3-methoxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide

2-(3-methoxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 11581362) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID11581362
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name2-(3-methoxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1cccc(CC(=O)Nc2nc(-c3c[nH]c4ncccc34)cs2)c1
InChIInChI=1S/C19H16N4O2S/c1-25-13-5-2-4-12(8-13)9-17(24)23-19-22-16(11-26-19)15-10-21-18-14(15)6-3-7-20-18/h2-8,10-11H,9H2,1H3,(H,20,21)(H,22,23,24)
InChIKeyRYOOGRGXRNFQLG-UHFFFAOYSA-N
XLogP3.88
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide (CID 11581362) is 2-(3-methoxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide is COc1cccc(CC(=O)Nc2nc(-c3c[nH]c4ncccc34)cs2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is RYOOGRGXRNFQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-25-13-5-2-4-12(8-13)9-17(24)23-19-22-16(11-26-19)15-10-21-18-14(15)6-3-7-20-18/h2-8,10-11H,9H2,1H3,(H,20,21)(H,22,23,24).
What are the key properties of 2-(3-methoxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide?
2-(3-methoxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 364.43 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 11581362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).