3-(1,3-benzothiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide

C15H18N2O2S — CID 94171701

IUPAC3-(1,3-benzothiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide
SMILESO=C(CCc1nc2ccccc2s1)NC[C@@H]1CCOC1
InChIInChI=1S/C15H18N2O2S/c18-14(16-9-11-7-8-19-10-11)5-6-15-17-12-3-1-2-4-13(12)20-15/h1-4,11H,5-10H2,(H,16,18)/t11-/m0/s1
InChIKeyMKEKHNOVXUEVSP-NSHDSACASA-N
MW290.39 g/mol
LogP2.38
Rot. Bonds5

About 3-(1,3-benzothiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide

3-(1,3-benzothiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide (PubChem CID 94171701) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide
PubChem CID94171701
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name3-(1,3-benzothiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide
SMILESO=C(CCc1nc2ccccc2s1)NC[C@@H]1CCOC1
InChIInChI=1S/C15H18N2O2S/c18-14(16-9-11-7-8-19-10-11)5-6-15-17-12-3-1-2-4-13(12)20-15/h1-4,11H,5-10H2,(H,16,18)/t11-/m0/s1
InChIKeyMKEKHNOVXUEVSP-NSHDSACASA-N
XLogP2.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(1,3-benzothiazol-2-ylmethoxy)-N-(cyclopropylmethyl)acetamide
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N-[2-(1,3-benzothiazol-2-yl)ethyl]oxane-4-carboxamide
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(2R)-2-(1,3-benzothiazol-2-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrrolidine-1-carboxamide
CID 94124246
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CID 27741117
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3-(1,3-benzothiazol-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 9404918
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CID 47292416
4-[3-(1,3-benzothiazol-2-yl)propanoylamino]cyclohexane-1-carboxylic acid
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3-(1,3-benzothiazol-2-yl)-N-(3,3-difluoro-2-hydroxypropyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide (CID 94171701) is 3-(1,3-benzothiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide is O=C(CCc1nc2ccccc2s1)NC[C@@H]1CCOC1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide?
The InChIKey is MKEKHNOVXUEVSP-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N2O2S/c18-14(16-9-11-7-8-19-10-11)5-6-15-17-12-3-1-2-4-13(12)20-15/h1-4,11H,5-10H2,(H,16,18)/t11-/m0/s1.
What are the key properties of 3-(1,3-benzothiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide?
3-(1,3-benzothiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide has a molecular weight of 290.39 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide is sourced from PubChem (CID 94171701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).