N-(1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide

C16H10N4OS — CID 2983645

IUPACN-(1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1ccc2nccnc2c1
InChIInChI=1S/C16H10N4OS/c21-15(10-5-6-11-13(9-10)18-8-7-17-11)20-16-19-12-3-1-2-4-14(12)22-16/h1-9H,(H,19,20,21)
InChIKeyQYHISYIWUURHJN-UHFFFAOYSA-N
MW306.35 g/mol
LogP3.49
Rot. Bonds2

About N-(1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide

N-(1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide (PubChem CID 2983645) has the molecular formula C16H10N4OS and a molecular weight of 306.35 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
PubChem CID2983645
Molecular FormulaC16H10N4OS
Molecular Weight306.35 g/mol
Exact Mass306.06
IUPAC NameN-(1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1ccc2nccnc2c1
InChIInChI=1S/C16H10N4OS/c21-15(10-5-6-11-13(9-10)18-8-7-17-11)20-16-19-12-3-1-2-4-14(12)22-16/h1-9H,(H,19,20,21)
InChIKeyQYHISYIWUURHJN-UHFFFAOYSA-N
XLogP3.49
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-bromo-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 43952277
N-(4-methyl-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 8840391
N-(1,3-benzothiazol-2-yl)-3-(chloromethyl)benzamide
CID 43156362
N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 43952233
3,5-diamino-N-(1,3-benzothiazol-2-yl)benzamide
CID 61092934
2-benzamido-1,3-benzothiazole-6-carboxylic acid
CID 19622650
N-(1,3-benzothiazol-2-yl)-3-propoxybenzamide
CID 2271389
N-(1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide
CID 8882491
N-(1,3-benzothiazol-2-yl)-4-(bromomethyl)benzamide
CID 102850815
3,5-diacetamido-N-(1,3-benzothiazol-2-yl)benzamide
CID 35997967
N-(1,3-benzothiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 4913591
N-(1,3-benzothiazol-2-yl)-3-ethylsulfonylbenzamide
CID 7578996

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide (CID 2983645) is N-(1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide is O=C(Nc1nc2ccccc2s1)c1ccc2nccnc2c1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide?
The InChIKey is QYHISYIWUURHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4OS/c21-15(10-5-6-11-13(9-10)18-8-7-17-11)20-16-19-12-3-1-2-4-14(12)22-16/h1-9H,(H,19,20,21).
What are the key properties of N-(1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide?
N-(1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide has a molecular weight of 306.35 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide is sourced from PubChem (CID 2983645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).