N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide

C15H14N4OS — CID 121122821

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide
SMILESCc1nc(C)c(CNC(=O)c2ccc3nccnc3c2)s1
InChIInChI=1S/C15H14N4OS/c1-9-14(21-10(2)19-9)8-18-15(20)11-3-4-12-13(7-11)17-6-5-16-12/h3-7H,8H2,1-2H3,(H,18,20)
InChIKeyJXDSVLYYASILSK-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.63
Rot. Bonds3

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide (PubChem CID 121122821) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide
PubChem CID121122821
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide
SMILESCc1nc(C)c(CNC(=O)c2ccc3nccnc3c2)s1
InChIInChI=1S/C15H14N4OS/c1-9-14(21-10(2)19-9)8-18-15(20)11-3-4-12-13(7-11)17-6-5-16-12/h3-7H,8H2,1-2H3,(H,18,20)
InChIKeyJXDSVLYYASILSK-UHFFFAOYSA-N
XLogP2.63
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 121122678
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide
CID 90546538
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluorobenzamide
CID 121122551
3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]benzoic acid
CID 75482713
N-[(2,5-dimethylpyrazol-3-yl)methyl]quinoxaline-6-carboxamide
CID 74250263
N-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]-2-methylphenyl]-6-methylpyridine-2-carboxamide
CID 171908662
N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
CID 2449777
N-[(2-aminophenyl)methyl]quinoxaline-6-carboxamide
CID 62849872
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 121122153
3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110395079
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 121122580
3-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide;dihydrochloride
CID 119882710

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide (CID 121122821) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide is Cc1nc(C)c(CNC(=O)c2ccc3nccnc3c2)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide?
The InChIKey is JXDSVLYYASILSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-9-14(21-10(2)19-9)8-18-15(20)11-3-4-12-13(7-11)17-6-5-16-12/h3-7H,8H2,1-2H3,(H,18,20).
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 121122821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).