2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide

C17H19N3O2S2 — CID 2544451

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
SMILESCCc1ccc2nc(NC(=O)CSCc3c(C)noc3C)sc2c1
InChIInChI=1S/C17H19N3O2S2/c1-4-12-5-6-14-15(7-12)24-17(18-14)19-16(21)9-23-8-13-10(2)20-22-11(13)3/h5-7H,4,8-9H2,1-3H3,(H,18,19,21)
InChIKeySCZQCCRFSSMNNI-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.34
Rot. Bonds6

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 2544451) has the molecular formula C17H19N3O2S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID2544451
Molecular FormulaC17H19N3O2S2
Molecular Weight361.49 g/mol
Exact Mass361.09
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
SMILESCCc1ccc2nc(NC(=O)CSCc3c(C)noc3C)sc2c1
InChIInChI=1S/C17H19N3O2S2/c1-4-12-5-6-14-15(7-12)24-17(18-14)19-16(21)9-23-8-13-10(2)20-22-11(13)3/h5-7H,4,8-9H2,1-3H3,(H,18,19,21)
InChIKeySCZQCCRFSSMNNI-UHFFFAOYSA-N
XLogP4.34
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide with MolForge

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-3,5-dimethyl-4-isoxazolecarboxamide
CID 2814505
N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2649211
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 7948233
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 16276235
3-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 17417564
3-ethyl-5-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 24980783
1-[4-(1,3-Benzothiazol-2-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 122181825
N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 2115176
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-benzothiazole-6-carboxamide
CID 2319352
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide
CID 2533134
N-(4,6-dimethylbenzo[d]thiazol-2-yl)-5-methylisoxazole-3-carboxamide
CID 2555125
3-ethyl-5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 8005554

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide (CID 2544451) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide is CCc1ccc2nc(NC(=O)CSCc3c(C)noc3C)sc2c1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is SCZQCCRFSSMNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S2/c1-4-12-5-6-14-15(7-12)24-17(18-14)19-16(21)9-23-8-13-10(2)20-22-11(13)3/h5-7H,4,8-9H2,1-3H3,(H,18,19,21).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 361.49 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 2544451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).