N-methyl-N-[4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide

C16H16N4OS2 — CID 47069752

IUPACN-methyl-N-[4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(C)c1nc(CSc2nc3ccccc3nc2C)cs1
InChIInChI=1S/C16H16N4OS2/c1-10-15(19-14-7-5-4-6-13(14)17-10)22-8-12-9-23-16(18-12)20(3)11(2)21/h4-7,9H,8H2,1-3H3
InChIKeyRDXBDQPYBWRKRG-UHFFFAOYSA-N
MW344.47 g/mol
LogP3.67
Rot. Bonds4

About N-methyl-N-[4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide

N-methyl-N-[4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 47069752) has the molecular formula C16H16N4OS2 and a molecular weight of 344.47 g/mol. Its IUPAC name is N-methyl-N-[4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
PubChem CID47069752
Molecular FormulaC16H16N4OS2
Molecular Weight344.47 g/mol
Exact Mass344.08
IUPAC NameN-methyl-N-[4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(C)c1nc(CSc2nc3ccccc3nc2C)cs1
InChIInChI=1S/C16H16N4OS2/c1-10-15(19-14-7-5-4-6-13(14)17-10)22-8-12-9-23-16(18-12)20(3)11(2)21/h4-7,9H,8H2,1-3H3
InChIKeyRDXBDQPYBWRKRG-UHFFFAOYSA-N
XLogP3.67
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-[4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 31207857
4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole
CID 35502313
N-[4-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-methylacetamide
CID 55997391
N-(2-ethylphenyl)-N-[4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 112774769
2-methyl-3-(3-methylquinoxalin-2-yl)sulfanylpropanoic acid
CID 64916743
N-(2,6-dimethylphenyl)-N-[4-(quinolin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 7754704
N-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-methylacetamide
CID 55998030
ethyl 4-(3-methylquinoxalin-2-yl)sulfanylbutanoate
CID 134060289
N-[4-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]-N-phenylacetamide
CID 4825395
N-[4-[(4-butyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-methylacetamide
CID 55996612
N-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide
CID 4858943
N-(2,3-dimethylphenyl)-N-[4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 52728155

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-methyl-N-[4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (CID 47069752) is N-methyl-N-[4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-methyl-N-[4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-methyl-N-[4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is CC(=O)N(C)c1nc(CSc2nc3ccccc3nc2C)cs1.
What is the InChIKey of N-methyl-N-[4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is RDXBDQPYBWRKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS2/c1-10-15(19-14-7-5-4-6-13(14)17-10)22-8-12-9-23-16(18-12)20(3)11(2)21/h4-7,9H,8H2,1-3H3.
What are the key properties of N-methyl-N-[4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
N-methyl-N-[4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 344.47 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 47069752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).