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

C18H14N4OS — CID 11515518

IUPAC2-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cc1ccccc1)Nc1nc(-c2c[nH]c3ncccc23)cs1
InChIInChI=1S/C18H14N4OS/c23-16(9-12-5-2-1-3-6-12)22-18-21-15(11-24-18)14-10-20-17-13(14)7-4-8-19-17/h1-8,10-11H,9H2,(H,19,20)(H,21,22,23)
InChIKeyGWACKLGGQCKNOV-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.87
Rot. Bonds4

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

2-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 11515518) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID11515518
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC Name2-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cc1ccccc1)Nc1nc(-c2c[nH]c3ncccc23)cs1
InChIInChI=1S/C18H14N4OS/c23-16(9-12-5-2-1-3-6-12)22-18-21-15(11-24-18)14-10-20-17-13(14)7-4-8-19-17/h1-8,10-11H,9H2,(H,19,20)(H,21,22,23)
InChIKeyGWACKLGGQCKNOV-UHFFFAOYSA-N
XLogP3.87
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide (CID 11515518) is 2-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide is O=C(Cc1ccccc1)Nc1nc(-c2c[nH]c3ncccc23)cs1.
What is the InChIKey of 2-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is GWACKLGGQCKNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c23-16(9-12-5-2-1-3-6-12)22-18-21-15(11-24-18)14-10-20-17-13(14)7-4-8-19-17/h1-8,10-11H,9H2,(H,19,20)(H,21,22,23).
What are the key properties of 2-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide?
2-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 334.40 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 11515518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).