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

C15H15N3O2S2 — CID 784165

IUPAC(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCC[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C15H15N3O2S2/c1-3-11(14(19)17-13-8-9(2)20-18-13)21-15-16-10-6-4-5-7-12(10)22-15/h4-8,11H,3H2,1-2H3,(H,17,18,19)/t11-/m1/s1
InChIKeyWHKUIROSKGQCLP-LLVKDONJSA-N
MW333.44 g/mol
LogP4.10
Rot. Bonds5

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

(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide (PubChem CID 784165) has the molecular formula C15H15N3O2S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is (2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
PubChem CID784165
Molecular FormulaC15H15N3O2S2
Molecular Weight333.44 g/mol
Exact Mass333.06
IUPAC Name(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCC[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C15H15N3O2S2/c1-3-11(14(19)17-13-8-9(2)20-18-13)21-15-16-10-6-4-5-7-12(10)22-15/h4-8,11H,3H2,1-2H3,(H,17,18,19)/t11-/m1/s1
InChIKeyWHKUIROSKGQCLP-LLVKDONJSA-N
XLogP4.10
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41323684
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 1160471
ethyl 2-(1,3-benzothiazol-2-ylsulfanyl)butanoate
CID 60656316
(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)butanoate
CID 6927172
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)butanamide
CID 25332156
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)butanamide
CID 25332157
(2S)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 41134136
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-methylsulfanylbutanamide
CID 94031927
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylbutanamide
CID 51263679
N-(5-methyl-1,2-oxazol-3-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylbutanamide
CID 16958410
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate
CID 55422426
N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanamide
CID 46645201

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The IUPAC name of (2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide (CID 784165) is (2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide.
What is the SMILES notation for (2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The canonical SMILES for (2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide is CC[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1cc(C)on1.
What is the InChIKey of (2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The InChIKey is WHKUIROSKGQCLP-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15N3O2S2/c1-3-11(14(19)17-13-8-9(2)20-18-13)21-15-16-10-6-4-5-7-12(10)22-15/h4-8,11H,3H2,1-2H3,(H,17,18,19)/t11-/m1/s1.
What are the key properties of (2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide has a molecular weight of 333.44 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide is sourced from PubChem (CID 784165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).