N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide

C16H20N2O2S — CID 71983741

IUPACN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)NCCc1nc2ccccc2s1
InChIInChI=1S/C16H20N2O2S/c19-15(11-12-6-9-20-10-7-12)17-8-5-16-18-13-3-1-2-4-14(13)21-16/h1-4,12H,5-11H2,(H,17,19)
InChIKeyHXBHLURFNTTXNN-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.77
Rot. Bonds5

About N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide

N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide (PubChem CID 71983741) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide
PubChem CID71983741
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)NCCc1nc2ccccc2s1
InChIInChI=1S/C16H20N2O2S/c19-15(11-12-6-9-20-10-7-12)17-8-5-16-18-13-3-1-2-4-14(13)21-16/h1-4,12H,5-11H2,(H,17,19)
InChIKeyHXBHLURFNTTXNN-UHFFFAOYSA-N
XLogP2.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)ethyl]oxane-4-carboxamide
CID 51207996
3-(1,3-benzothiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide
CID 94171701
2-(1,3-benzothiazol-2-yl)-N-(cyclopropylmethyl)ethanamine
CID 43654900
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide
CID 114996265
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide
CID 78836452
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 18087174
3-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119692173
1-[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 31314077
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 51207948
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 18198533
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]acetamide
CID 78817131
4-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide
CID 51155972

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide (CID 71983741) is N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide is O=C(CC1CCOCC1)NCCc1nc2ccccc2s1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide?
The InChIKey is HXBHLURFNTTXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c19-15(11-12-6-9-20-10-7-12)17-8-5-16-18-13-3-1-2-4-14(13)21-16/h1-4,12H,5-11H2,(H,17,19).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide?
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide has a molecular weight of 304.41 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 71983741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).