N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylquinoxaline-2-carboxamide

C17H18N4OS — CID 95614602

IUPACN-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylquinoxaline-2-carboxamide
SMILESCc1nc(C)c([C@@H](C)N(C)C(=O)c2cnc3ccccc3n2)s1
InChIInChI=1S/C17H18N4OS/c1-10-16(23-12(3)19-10)11(2)21(4)17(22)15-9-18-13-7-5-6-8-14(13)20-15/h5-9,11H,1-4H3/t11-/m1/s1
InChIKeyNIXORQGYJWNCBI-LLVKDONJSA-N
MW326.43 g/mol
LogP3.54
Rot. Bonds3

About N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylquinoxaline-2-carboxamide

N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylquinoxaline-2-carboxamide (PubChem CID 95614602) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylquinoxaline-2-carboxamide
PubChem CID95614602
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC NameN-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylquinoxaline-2-carboxamide
SMILESCc1nc(C)c([C@@H](C)N(C)C(=O)c2cnc3ccccc3n2)s1
InChIInChI=1S/C17H18N4OS/c1-10-16(23-12(3)19-10)11(2)21(4)17(22)15-9-18-13-7-5-6-8-14(13)20-15/h5-9,11H,1-4H3/t11-/m1/s1
InChIKeyNIXORQGYJWNCBI-LLVKDONJSA-N
XLogP3.54
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpyridine-3-carboxamide
CID 56803309
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methylquinoxaline-2-carboxamide
CID 31351364
N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methylquinoxaline-2-carboxamide
CID 107356576
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 56782372
N-[1-(2-hydroxyphenyl)ethyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
CID 103799825
2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylacetamide
CID 119881804
3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpropanamide;dihydrochloride
CID 119881817
N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-3-(propanoylamino)benzamide
CID 95614599
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea
CID 86896109
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-quinolin-8-ylacetamide
CID 138038549
3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide
CID 119881810
N-methyl-N-[(4-propan-2-ylphenyl)methyl]quinoxaline-2-carboxamide
CID 46546463

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylquinoxaline-2-carboxamide?
The IUPAC name of N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylquinoxaline-2-carboxamide (CID 95614602) is N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylquinoxaline-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylquinoxaline-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylquinoxaline-2-carboxamide is Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cnc3ccccc3n2)s1.
What is the InChIKey of N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylquinoxaline-2-carboxamide?
The InChIKey is NIXORQGYJWNCBI-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-10-16(23-12(3)19-10)11(2)21(4)17(22)15-9-18-13-7-5-6-8-14(13)20-15/h5-9,11H,1-4H3/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylquinoxaline-2-carboxamide?
N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylquinoxaline-2-carboxamide has a molecular weight of 326.43 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylquinoxaline-2-carboxamide is sourced from PubChem (CID 95614602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).