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

C13H9N3OS — CID 2576269

IUPACN-(1,3-thiazol-2-yl)quinoline-2-carboxamide
SMILESO=C(Nc1nccs1)c1ccc2ccccc2n1
InChIInChI=1S/C13H9N3OS/c17-12(16-13-14-7-8-18-13)11-6-5-9-3-1-2-4-10(9)15-11/h1-8H,(H,14,16,17)
InChIKeyBZFYMVNNVFSVCX-UHFFFAOYSA-N
MW255.30 g/mol
LogP2.94
Rot. Bonds2

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

N-(1,3-thiazol-2-yl)quinoline-2-carboxamide (PubChem CID 2576269) has the molecular formula C13H9N3OS and a molecular weight of 255.30 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)quinoline-2-carboxamide
PubChem CID2576269
Molecular FormulaC13H9N3OS
Molecular Weight255.30 g/mol
Exact Mass255.05
IUPAC NameN-(1,3-thiazol-2-yl)quinoline-2-carboxamide
SMILESO=C(Nc1nccs1)c1ccc2ccccc2n1
InChIInChI=1S/C13H9N3OS/c17-12(16-13-14-7-8-18-13)11-6-5-9-3-1-2-4-10(9)15-11/h1-8H,(H,14,16,17)
InChIKeyBZFYMVNNVFSVCX-UHFFFAOYSA-N
XLogP2.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 790259
3-Pyridinecarboxamide, N-(4-phenyl-2-thiazolyl)-
CID 203433
N-(4-Pyridin-2-yl-thiazol-2-yl)-benzamide
CID 4119262
indole-based 6-membered lactam, (R)-4b
CID 15604766
Indole-based 6-membered lactam, 3b
CID 44143545
N-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 2463754
2-(1H-indol-3-yl)-2-oxo-N-(2-thiazolyl)acetamide
CID 2174681
N-(1,3-thiazol-2-yl)quinoxaline-6-carboxamide
CID 855426
Indole-based 6-membered lactam, 3e
CID 44143547
Indole-based 6-membered lactam, 4f
CID 44143552
Indole-based 7-membered lactam, 23b
CID 44143559
Indole-based 7-membered lactam, 25b
CID 44143562

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)quinoline-2-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)quinoline-2-carboxamide (CID 2576269) is N-(1,3-thiazol-2-yl)quinoline-2-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)quinoline-2-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)quinoline-2-carboxamide is O=C(Nc1nccs1)c1ccc2ccccc2n1.
What is the InChIKey of N-(1,3-thiazol-2-yl)quinoline-2-carboxamide?
The InChIKey is BZFYMVNNVFSVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3OS/c17-12(16-13-14-7-8-18-13)11-6-5-9-3-1-2-4-10(9)15-11/h1-8H,(H,14,16,17).
What are the key properties of N-(1,3-thiazol-2-yl)quinoline-2-carboxamide?
N-(1,3-thiazol-2-yl)quinoline-2-carboxamide has a molecular weight of 255.30 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)quinoline-2-carboxamide is sourced from PubChem (CID 2576269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).