2-phenyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide

C19H13N3OS — CID 4668300

IUPAC2-phenyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nccs1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C19H13N3OS/c23-18(22-19-20-10-11-24-19)15-12-17(13-6-2-1-3-7-13)21-16-9-5-4-8-14(15)16/h1-12H,(H,20,22,23)
InChIKeyXTWZGRKXEVQUKD-UHFFFAOYSA-N
MW331.40 g/mol
LogP4.61
Rot. Bonds3

About 2-phenyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide

2-phenyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (PubChem CID 4668300) has the molecular formula C19H13N3OS and a molecular weight of 331.40 g/mol. Its IUPAC name is 2-phenyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
PubChem CID4668300
Molecular FormulaC19H13N3OS
Molecular Weight331.40 g/mol
Exact Mass331.08
IUPAC Name2-phenyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nccs1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C19H13N3OS/c23-18(22-19-20-10-11-24-19)15-12-17(13-6-2-1-3-7-13)21-16-9-5-4-8-14(15)16/h1-12H,(H,20,22,23)
InChIKeyXTWZGRKXEVQUKD-UHFFFAOYSA-N
XLogP4.61
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-phenyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (CID 4668300) is 2-phenyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-phenyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is O=C(Nc1nccs1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-phenyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is XTWZGRKXEVQUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3OS/c23-18(22-19-20-10-11-24-19)15-12-17(13-6-2-1-3-7-13)21-16-9-5-4-8-14(15)16/h1-12H,(H,20,22,23).
What are the key properties of 2-phenyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
2-phenyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 4668300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).