2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C13H11N3O2S2 — CID 684682

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nc3ccccc3s2)no1
InChIInChI=1S/C13H11N3O2S2/c1-8-6-11(16-18-8)15-12(17)7-19-13-14-9-4-2-3-5-10(9)20-13/h2-6H,7H2,1H3,(H,15,16,17)
InChIKeyKLZDMWZPSYYOMH-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.32
Rot. Bonds4

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 684682) has the molecular formula C13H11N3O2S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID684682
Molecular FormulaC13H11N3O2S2
Molecular Weight305.38 g/mol
Exact Mass305.03
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nc3ccccc3s2)no1
InChIInChI=1S/C13H11N3O2S2/c1-8-6-11(16-18-8)15-12(17)7-19-13-14-9-4-2-3-5-10(9)20-13/h2-6H,7H2,1H3,(H,15,16,17)
InChIKeyKLZDMWZPSYYOMH-UHFFFAOYSA-N
XLogP3.32
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 3147269
1-[4-(1,3-Benzothiazol-2-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 122181825
N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 1235819
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-benzothiazole-6-carboxamide
CID 2319352
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2542625
2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2591156
2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(5-methyl-3-isoxazolyl)butanamide
CID 2928059
2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3000032
ST092498
CID 627918
2-[2-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 42601207
N-(5-methyl-3-isoxazolyl)-2-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl}acetamide
CID 1235820
2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8882421

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 684682) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CSc2nc3ccccc3s2)no1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is KLZDMWZPSYYOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S2/c1-8-6-11(16-18-8)15-12(17)7-19-13-14-9-4-2-3-5-10(9)20-13/h2-6H,7H2,1H3,(H,15,16,17).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 305.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 684682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).