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

C19H13N5OS — CID 11639062

IUPAC2-(3-cyanophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESN#Cc1cccc(CC(=O)Nc2nc(-c3c[nH]c4ncccc34)cs2)c1
InChIInChI=1S/C19H13N5OS/c20-9-13-4-1-3-12(7-13)8-17(25)24-19-23-16(11-26-19)15-10-22-18-14(15)5-2-6-21-18/h1-7,10-11H,8H2,(H,21,22)(H,23,24,25)
InChIKeyOHKJXKCVNKFTSD-UHFFFAOYSA-N
MW359.41 g/mol
LogP3.74
Rot. Bonds4

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

2-(3-cyanophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 11639062) has the molecular formula C19H13N5OS and a molecular weight of 359.41 g/mol. Its IUPAC name is 2-(3-cyanophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-cyanophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID11639062
Molecular FormulaC19H13N5OS
Molecular Weight359.41 g/mol
Exact Mass359.08
IUPAC Name2-(3-cyanophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESN#Cc1cccc(CC(=O)Nc2nc(-c3c[nH]c4ncccc34)cs2)c1
InChIInChI=1S/C19H13N5OS/c20-9-13-4-1-3-12(7-13)8-17(25)24-19-23-16(11-26-19)15-10-22-18-14(15)5-2-6-21-18/h1-7,10-11H,8H2,(H,21,22)(H,23,24,25)
InChIKeyOHKJXKCVNKFTSD-UHFFFAOYSA-N
XLogP3.74
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(3-cyanophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide (CID 11639062) is 2-(3-cyanophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3-cyanophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(3-cyanophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide is N#Cc1cccc(CC(=O)Nc2nc(-c3c[nH]c4ncccc34)cs2)c1.
What is the InChIKey of 2-(3-cyanophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is OHKJXKCVNKFTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5OS/c20-9-13-4-1-3-12(7-13)8-17(25)24-19-23-16(11-26-19)15-10-22-18-14(15)5-2-6-21-18/h1-7,10-11H,8H2,(H,21,22)(H,23,24,25).
What are the key properties of 2-(3-cyanophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide?
2-(3-cyanophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 359.41 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 11639062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).