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

C21H18N4OS — CID 74241327

IUPACN-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide
SMILESCc1ncsc1CN(Cc1ccccc1)C(=O)c1ccc2nccnc2c1
InChIInChI=1S/C21H18N4OS/c1-15-20(27-14-24-15)13-25(12-16-5-3-2-4-6-16)21(26)17-7-8-18-19(11-17)23-10-9-22-18/h2-11,14H,12-13H2,1H3
InChIKeyRZJGCEPEGXECBR-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.24
Rot. Bonds5

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

N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide (PubChem CID 74241327) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide
PubChem CID74241327
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC NameN-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide
SMILESCc1ncsc1CN(Cc1ccccc1)C(=O)c1ccc2nccnc2c1
InChIInChI=1S/C21H18N4OS/c1-15-20(27-14-24-15)13-25(12-16-5-3-2-4-6-16)21(26)17-7-8-18-19(11-17)23-10-9-22-18/h2-11,14H,12-13H2,1H3
InChIKeyRZJGCEPEGXECBR-UHFFFAOYSA-N
XLogP4.24
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-[(4-methylsulfanylphenyl)methyl]quinoxaline-6-carboxamide
CID 23654612
N-benzyl-N-ethyl-2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxamide
CID 110111082
N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-pyridin-4-ylpropanamide
CID 74235505
1-benzyl-3-[(2S)-1-(dimethylamino)propan-2-yl]-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 126441669
N-benzyl-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxamide
CID 110131635
N,N-dibenzyl-1,2-dimethylbenzimidazole-5-carboxamide
CID 100776245
N-benzyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 131945511
N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide
CID 42513270
N-(2-phenylethyl)quinoxaline-6-carboxamide
CID 858929
N-benzyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;formic acid
CID 154914502
N-benzyl-N-ethyl-1-methylbenzimidazole-5-carboxamide
CID 110692583
N,N-diethyl-1,3-benzothiazole-6-carboxamide
CID 60635901

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide?
The IUPAC name of N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide (CID 74241327) is N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide is Cc1ncsc1CN(Cc1ccccc1)C(=O)c1ccc2nccnc2c1.
What is the InChIKey of N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide?
The InChIKey is RZJGCEPEGXECBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c1-15-20(27-14-24-15)13-25(12-16-5-3-2-4-6-16)21(26)17-7-8-18-19(11-17)23-10-9-22-18/h2-11,14H,12-13H2,1H3.
What are the key properties of N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide?
N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 74241327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).