N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide

C17H20N4O2S — CID 108726619

IUPACN-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1cc(C)c2c(CC(=O)Nc3nc(CN(C)C)cs3)noc2c1
InChIInChI=1S/C17H20N4O2S/c1-10-5-11(2)16-13(20-23-14(16)6-10)7-15(22)19-17-18-12(9-24-17)8-21(3)4/h5-6,9H,7-8H2,1-4H3,(H,18,19,22)
InChIKeyFSGBAJPJPBLIQS-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.14
Rot. Bonds5

About N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide

N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide (PubChem CID 108726619) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
PubChem CID108726619
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1cc(C)c2c(CC(=O)Nc3nc(CN(C)C)cs3)noc2c1
InChIInChI=1S/C17H20N4O2S/c1-10-5-11(2)16-13(20-23-14(16)6-10)7-15(22)19-17-18-12(9-24-17)8-21(3)4/h5-6,9H,7-8H2,1-4H3,(H,18,19,22)
InChIKeyFSGBAJPJPBLIQS-UHFFFAOYSA-N
XLogP3.14
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108805976
2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 108806066
N-[3-(dimethylamino)propyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108794339
ethyl 2-[[2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-1,3-benzothiazole-6-carboxylate
CID 108739233
2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 108794428
N-(4-bromo-3-methylphenyl)-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108805971
N-(4-bromo-2-methylphenyl)-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108805970
2-(1,2-benzoxazol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8927472
2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide
CID 108727907
N-cyclopentyl-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108794252
2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide
CID 108740892
ethyl 4-[[2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate
CID 108794230

Frequently Asked Questions

What is the IUPAC name of N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide (CID 108726619) is N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide is Cc1cc(C)c2c(CC(=O)Nc3nc(CN(C)C)cs3)noc2c1.
What is the InChIKey of N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
The InChIKey is FSGBAJPJPBLIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-10-5-11(2)16-13(20-23-14(16)6-10)7-15(22)19-17-18-12(9-24-17)8-21(3)4/h5-6,9H,7-8H2,1-4H3,(H,18,19,22).
What are the key properties of N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide has a molecular weight of 344.44 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 108726619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).