3-(1,3-benzothiazol-2-yl)-N-cyclobutyl-2,3-dihydroxy-N-methylpropanamide

C15H18N2O3S — CID 84598004

IUPAC3-(1,3-benzothiazol-2-yl)-N-cyclobutyl-2,3-dihydroxy-N-methylpropanamide
SMILESCN(C(=O)C(O)C(O)c1nc2ccccc2s1)C1CCC1
InChIInChI=1S/C15H18N2O3S/c1-17(9-5-4-6-9)15(20)13(19)12(18)14-16-10-7-2-3-8-11(10)21-14/h2-3,7-9,12-13,18-19H,4-6H2,1H3
InChIKeyXGTSDKMUJAPBGB-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.70
Rot. Bonds4

About 3-(1,3-benzothiazol-2-yl)-N-cyclobutyl-2,3-dihydroxy-N-methylpropanamide

3-(1,3-benzothiazol-2-yl)-N-cyclobutyl-2,3-dihydroxy-N-methylpropanamide (PubChem CID 84598004) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-N-cyclobutyl-2,3-dihydroxy-N-methylpropanamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-N-cyclobutyl-2,3-dihydroxy-N-methylpropanamide
PubChem CID84598004
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name3-(1,3-benzothiazol-2-yl)-N-cyclobutyl-2,3-dihydroxy-N-methylpropanamide
SMILESCN(C(=O)C(O)C(O)c1nc2ccccc2s1)C1CCC1
InChIInChI=1S/C15H18N2O3S/c1-17(9-5-4-6-9)15(20)13(19)12(18)14-16-10-7-2-3-8-11(10)21-14/h2-3,7-9,12-13,18-19H,4-6H2,1H3
InChIKeyXGTSDKMUJAPBGB-UHFFFAOYSA-N
XLogP1.70
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(1,3-benzothiazol-2-yl)-2,3-dihydroxypropan-1-one
CID 110014955
3-(1,3-benzothiazol-2-yl)-N-(1-cyclohexylethyl)-2,3-dihydroxypropanamide
CID 110015940
3-(1,3-benzothiazol-2-yl)-N-ethyl-2,3-dihydroxy-N-(2-methylpropyl)propanamide
CID 110014043
3-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,3-dihydroxy-N-methylpropanamide
CID 110879959
(2R,3R)-3-(1,3-benzothiazol-2-yl)-2,3-dihydroxy-N-[[(1S,2R)-2-methylcyclohexyl]methyl]propanamide
CID 124845114
3-(1,3-benzothiazol-2-yl)-N-cyclohexyl-N-methylprop-2-enamide
CID 76857537
3-(1,3-benzothiazol-2-yl)-N-cyclohexyl-N-methylpropanamide
CID 78774445
3-(1,3-benzothiazol-2-yl)-2,3-dihydroxy-N-(2-propylcyclopropyl)propanamide
CID 110016057
3-(1,3-benzothiazol-2-yl)-N-(3,3-diphenylpropyl)-2,3-dihydroxypropanamide
CID 112797370
3-(1,3-benzothiazol-2-yl)-N-benzyl-2,3-dihydroxypropanamide
CID 110879660
(1S,2R)-1-(1,3-benzothiazol-2-yl)-2-methylbut-3-en-1-ol
CID 10856987
2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-(cyclopentylcarbamoyl)acetamide
CID 9048067

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-cyclobutyl-2,3-dihydroxy-N-methylpropanamide?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-cyclobutyl-2,3-dihydroxy-N-methylpropanamide (CID 84598004) is 3-(1,3-benzothiazol-2-yl)-N-cyclobutyl-2,3-dihydroxy-N-methylpropanamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-N-cyclobutyl-2,3-dihydroxy-N-methylpropanamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-N-cyclobutyl-2,3-dihydroxy-N-methylpropanamide is CN(C(=O)C(O)C(O)c1nc2ccccc2s1)C1CCC1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-N-cyclobutyl-2,3-dihydroxy-N-methylpropanamide?
The InChIKey is XGTSDKMUJAPBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-17(9-5-4-6-9)15(20)13(19)12(18)14-16-10-7-2-3-8-11(10)21-14/h2-3,7-9,12-13,18-19H,4-6H2,1H3.
What are the key properties of 3-(1,3-benzothiazol-2-yl)-N-cyclobutyl-2,3-dihydroxy-N-methylpropanamide?
3-(1,3-benzothiazol-2-yl)-N-cyclobutyl-2,3-dihydroxy-N-methylpropanamide has a molecular weight of 306.39 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-N-cyclobutyl-2,3-dihydroxy-N-methylpropanamide is sourced from PubChem (CID 84598004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).