N-ethyl-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-thiazole-5-carboxamide

C16H16N4O2S — CID 134175638

IUPACN-ethyl-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-thiazole-5-carboxamide
SMILESCCNC(=O)c1cnc(-c2cc(C)cc3nc(OC)cnc23)s1
InChIInChI=1S/C16H16N4O2S/c1-4-17-15(21)12-7-19-16(23-12)10-5-9(2)6-11-14(10)18-8-13(20-11)22-3/h5-8H,4H2,1-3H3,(H,17,21)
InChIKeyPTJYLPJJSRBOJJ-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.82
Rot. Bonds4

About N-ethyl-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-thiazole-5-carboxamide

N-ethyl-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-thiazole-5-carboxamide (PubChem CID 134175638) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-ethyl-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-thiazole-5-carboxamide
PubChem CID134175638
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-ethyl-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-thiazole-5-carboxamide
SMILESCCNC(=O)c1cnc(-c2cc(C)cc3nc(OC)cnc23)s1
InChIInChI=1S/C16H16N4O2S/c1-4-17-15(21)12-7-19-16(23-12)10-5-9(2)6-11-14(10)18-8-13(20-11)22-3/h5-8H,4H2,1-3H3,(H,17,21)
InChIKeyPTJYLPJJSRBOJJ-UHFFFAOYSA-N
XLogP2.82
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[4,5-c]pyridine
CID 134180682
ethyl 2-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]acetate
CID 153325099
2-[[2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]ethyl N-(2-methoxypyrimidin-5-yl)carbamate
CID 139522614
7-ethyl-6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazole
CID 134174989
ethane;[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol
CID 145443609
2-[[2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]ethyl carbonochloridate
CID 134180802
2-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]ethanol
CID 134180622
[(7S,8S)-5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-8-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methylcarbamic acid
CID 139580070
1-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]propan-2-ol
CID 139508405
2-[[4-chloro-5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]ethyl carbamate
CID 139522908
2-methoxyethyl N-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl]carbamate
CID 139580205
[(2R)-1-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]propan-2-yl]-[6-[(2-hydroxy-2-methylpropyl)carbamoyl]-3-pyridinyl]carbamic acid
CID 155057670

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-ethyl-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-thiazole-5-carboxamide (CID 134175638) is N-ethyl-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-ethyl-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-ethyl-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-thiazole-5-carboxamide is CCNC(=O)c1cnc(-c2cc(C)cc3nc(OC)cnc23)s1.
What is the InChIKey of N-ethyl-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is PTJYLPJJSRBOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-4-17-15(21)12-7-19-16(23-12)10-5-9(2)6-11-14(10)18-8-13(20-11)22-3/h5-8H,4H2,1-3H3,(H,17,21).
What are the key properties of N-ethyl-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-thiazole-5-carboxamide?
N-ethyl-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 134175638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).