2-benzyl-N-quinoxalin-6-yl-1,3-thiazole-4-carboxamide

C19H14N4OS — CID 28731409

IUPAC2-benzyl-N-quinoxalin-6-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2nccnc2c1)c1csc(Cc2ccccc2)n1
InChIInChI=1S/C19H14N4OS/c24-19(22-14-6-7-15-16(11-14)21-9-8-20-15)17-12-25-18(23-17)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H,22,24)
InChIKeyHSTBTZBFVIZCNO-UHFFFAOYSA-N
MW346.42 g/mol
LogP3.93
Rot. Bonds4

About 2-benzyl-N-quinoxalin-6-yl-1,3-thiazole-4-carboxamide

2-benzyl-N-quinoxalin-6-yl-1,3-thiazole-4-carboxamide (PubChem CID 28731409) has the molecular formula C19H14N4OS and a molecular weight of 346.42 g/mol. Its IUPAC name is 2-benzyl-N-quinoxalin-6-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-quinoxalin-6-yl-1,3-thiazole-4-carboxamide
PubChem CID28731409
Molecular FormulaC19H14N4OS
Molecular Weight346.42 g/mol
Exact Mass346.09
IUPAC Name2-benzyl-N-quinoxalin-6-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2nccnc2c1)c1csc(Cc2ccccc2)n1
InChIInChI=1S/C19H14N4OS/c24-19(22-14-6-7-15-16(11-14)21-9-8-20-15)17-12-25-18(23-17)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H,22,24)
InChIKeyHSTBTZBFVIZCNO-UHFFFAOYSA-N
XLogP3.93
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-N-(3-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 39887290
2-(aminomethyl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide
CID 66378461
2-benzyl-N-pyridin-3-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 154885366
2-benzyl-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 55833853
2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 38018562
2-benzyl-N-(2,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 38764761
2-benzyl-N-(2H-triazol-4-yl)-1,3-thiazole-4-carboxamide
CID 166221899
2-benzyl-N-(2-hydroxy-5-methylphenyl)-1,3-thiazole-4-carboxamide
CID 60561856
2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 38766578
2-benzyl-N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 56507407
N-[(2S)-1-aminopropan-2-yl]-2-benzyl-1,3-thiazole-4-carboxamide
CID 120508270
2-benzyl-1,3-thiazole-4-carboxylic acid;ethane
CID 91419300

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-quinoxalin-6-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-benzyl-N-quinoxalin-6-yl-1,3-thiazole-4-carboxamide (CID 28731409) is 2-benzyl-N-quinoxalin-6-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-quinoxalin-6-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-benzyl-N-quinoxalin-6-yl-1,3-thiazole-4-carboxamide is O=C(Nc1ccc2nccnc2c1)c1csc(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-N-quinoxalin-6-yl-1,3-thiazole-4-carboxamide?
The InChIKey is HSTBTZBFVIZCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4OS/c24-19(22-14-6-7-15-16(11-14)21-9-8-20-15)17-12-25-18(23-17)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H,22,24).
What are the key properties of 2-benzyl-N-quinoxalin-6-yl-1,3-thiazole-4-carboxamide?
2-benzyl-N-quinoxalin-6-yl-1,3-thiazole-4-carboxamide has a molecular weight of 346.42 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-quinoxalin-6-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 28731409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).