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

C16H16N2O4S — CID 110879959

IUPAC3-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,3-dihydroxy-N-methylpropanamide
SMILESCN(Cc1ccco1)C(=O)C(O)C(O)c1nc2ccccc2s1
InChIInChI=1S/C16H16N2O4S/c1-18(9-10-5-4-8-22-10)16(21)14(20)13(19)15-17-11-6-2-3-7-12(11)23-15/h2-8,13-14,19-20H,9H2,1H3
InChIKeyLYWOGHMSTOCAKF-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.94
Rot. Bonds5

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

3-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,3-dihydroxy-N-methylpropanamide (PubChem CID 110879959) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,3-dihydroxy-N-methylpropanamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,3-dihydroxy-N-methylpropanamide
PubChem CID110879959
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name3-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,3-dihydroxy-N-methylpropanamide
SMILESCN(Cc1ccco1)C(=O)C(O)C(O)c1nc2ccccc2s1
InChIInChI=1S/C16H16N2O4S/c1-18(9-10-5-4-8-22-10)16(21)14(20)13(19)15-17-11-6-2-3-7-12(11)23-15/h2-8,13-14,19-20H,9H2,1H3
InChIKeyLYWOGHMSTOCAKF-UHFFFAOYSA-N
XLogP1.94
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide
CID 112761133
3-(1,3-benzothiazol-2-yl)-N-cyclobutyl-2,3-dihydroxy-N-methylpropanamide
CID 84598004
3-(1,3-benzothiazol-2-yl)-N-ethyl-2,3-dihydroxy-N-(2-methylpropyl)propanamide
CID 110014043
2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 9047433
3-amino-N-(furan-2-ylmethyl)-N-methyl-2-phenylpropanamide
CID 62878878
N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide
CID 86860563
(2R)-2-chloro-N-(furan-2-ylmethyl)-N-methylpropanamide
CID 42554709
3-(1,3-benzothiazol-2-yl)-N-benzyl-2,3-dihydroxypropanamide
CID 110879660
3-(1,3-benzothiazol-2-yl)-N-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroxy-N-prop-2-enylpropanamide
CID 112797382
3-(1,3-benzothiazol-2-yl)-2,3-dihydroxy-N-(2-thiophen-2-ylethyl)propanamide
CID 76695967
3-(1,3-benzothiazol-2-yl)-N-(3,3-diphenylpropyl)-2,3-dihydroxypropanamide
CID 112797370
N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-methylbenzamide
CID 17459725

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,3-dihydroxy-N-methylpropanamide?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,3-dihydroxy-N-methylpropanamide (CID 110879959) is 3-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,3-dihydroxy-N-methylpropanamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,3-dihydroxy-N-methylpropanamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,3-dihydroxy-N-methylpropanamide is CN(Cc1ccco1)C(=O)C(O)C(O)c1nc2ccccc2s1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,3-dihydroxy-N-methylpropanamide?
The InChIKey is LYWOGHMSTOCAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-18(9-10-5-4-8-22-10)16(21)14(20)13(19)15-17-11-6-2-3-7-12(11)23-15/h2-8,13-14,19-20H,9H2,1H3.
What are the key properties of 3-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,3-dihydroxy-N-methylpropanamide?
3-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,3-dihydroxy-N-methylpropanamide has a molecular weight of 332.38 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,3-dihydroxy-N-methylpropanamide is sourced from PubChem (CID 110879959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).