2-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)-1,3-thiazole-4-carboxamide

C20H18N4OS — CID 90556234

IUPAC2-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCCn1ccc2cccnc21)c1csc(-c2ccccc2)n1
InChIInChI=1S/C20H18N4OS/c25-19(17-14-26-20(23-17)16-6-2-1-3-7-16)22-11-5-12-24-13-9-15-8-4-10-21-18(15)24/h1-4,6-10,13-14H,5,11-12H2,(H,22,25)
InChIKeyZSBCKKACPANQJJ-UHFFFAOYSA-N
MW362.46 g/mol
LogP3.98
Rot. Bonds6

About 2-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)-1,3-thiazole-4-carboxamide

2-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)-1,3-thiazole-4-carboxamide (PubChem CID 90556234) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 2-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)-1,3-thiazole-4-carboxamide
PubChem CID90556234
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name2-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCCn1ccc2cccnc21)c1csc(-c2ccccc2)n1
InChIInChI=1S/C20H18N4OS/c25-19(17-14-26-20(23-17)16-6-2-1-3-7-16)22-11-5-12-24-13-9-15-8-4-10-21-18(15)24/h1-4,6-10,13-14H,5,11-12H2,(H,22,25)
InChIKeyZSBCKKACPANQJJ-UHFFFAOYSA-N
XLogP3.98
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-2-carboxamide
CID 90556263
N-octadecyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 11259615
3,5-dimethyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide
CID 90556279
2-ethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide
CID 90556284
2-(3-methylphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)acetamide
CID 90556327
2-phenyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 46546339
3,4,5-trimethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide
CID 90556292
N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194
N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51253349
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 18157145
3-(4-methoxyphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)propanamide
CID 90556350
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 121169579

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)-1,3-thiazole-4-carboxamide (CID 90556234) is 2-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)-1,3-thiazole-4-carboxamide is O=C(NCCCn1ccc2cccnc21)c1csc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZSBCKKACPANQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c25-19(17-14-26-20(23-17)16-6-2-1-3-7-16)22-11-5-12-24-13-9-15-8-4-10-21-18(15)24/h1-4,6-10,13-14H,5,11-12H2,(H,22,25).
What are the key properties of 2-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)-1,3-thiazole-4-carboxamide?
2-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90556234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).