2-(1,3-benzothiazol-2-ylmethoxy)-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]acetamide

C18H22N2O3S — CID 94026140

IUPAC2-(1,3-benzothiazol-2-ylmethoxy)-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]acetamide
SMILESO=C(COCc1nc2ccccc2s1)N(C[C@H]1CCOC1)C1CC1
InChIInChI=1S/C18H22N2O3S/c21-18(20(14-5-6-14)9-13-7-8-22-10-13)12-23-11-17-19-15-3-1-2-4-16(15)24-17/h1-4,13-14H,5-12H2/t13-/m1/s1
InChIKeyWYADBBLLSRZCGU-CYBMUJFWSA-N
MW346.45 g/mol
LogP2.84
Rot. Bonds7

About 2-(1,3-benzothiazol-2-ylmethoxy)-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]acetamide

2-(1,3-benzothiazol-2-ylmethoxy)-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]acetamide (PubChem CID 94026140) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethoxy)-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylmethoxy)-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]acetamide
PubChem CID94026140
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-(1,3-benzothiazol-2-ylmethoxy)-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]acetamide
SMILESO=C(COCc1nc2ccccc2s1)N(C[C@H]1CCOC1)C1CC1
InChIInChI=1S/C18H22N2O3S/c21-18(20(14-5-6-14)9-13-7-8-22-10-13)12-23-11-17-19-15-3-1-2-4-16(15)24-17/h1-4,13-14H,5-12H2/t13-/m1/s1
InChIKeyWYADBBLLSRZCGU-CYBMUJFWSA-N
XLogP2.84
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 9159715
2-(1,3-benzothiazol-2-ylmethoxy)-N-(cyclopropylmethyl)acetamide
CID 24667090
3-(1,3-benzothiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide
CID 94171701
2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylcyclohexyl)acetamide
CID 24537642
1-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-(1,3-benzothiazol-2-ylmethoxy)ethanone
CID 94103215
1-[(4aR,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(1,3-benzothiazol-2-ylmethoxy)ethanone
CID 94486951
2-(1,3-benzothiazol-2-ylmethoxy)-1-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethanone
CID 25443579
2-(1,3-benzothiazol-2-ylmethoxy)-1-(4-benzoylpiperazin-1-yl)ethanone
CID 18112451
2-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-N-cyclopropylacetamide
CID 18163807
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide
CID 71983741
2-(1,3-benzothiazol-2-ylmethoxy)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 35235298
2-(1,3-benzothiazol-2-ylmethoxy)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 24552665

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]acetamide (CID 94026140) is 2-(1,3-benzothiazol-2-ylmethoxy)-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethoxy)-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethoxy)-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]acetamide is O=C(COCc1nc2ccccc2s1)N(C[C@H]1CCOC1)C1CC1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethoxy)-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]acetamide?
The InChIKey is WYADBBLLSRZCGU-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N2O3S/c21-18(20(14-5-6-14)9-13-7-8-22-10-13)12-23-11-17-19-15-3-1-2-4-16(15)24-17/h1-4,13-14H,5-12H2/t13-/m1/s1.
What are the key properties of 2-(1,3-benzothiazol-2-ylmethoxy)-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]acetamide?
2-(1,3-benzothiazol-2-ylmethoxy)-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]acetamide has a molecular weight of 346.45 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylmethoxy)-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]acetamide is sourced from PubChem (CID 94026140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).