2-(1,3-benzothiazol-2-ylmethoxy)-N-(cyclopropylmethyl)acetamide

C14H16N2O2S — CID 24667090

IUPAC2-(1,3-benzothiazol-2-ylmethoxy)-N-(cyclopropylmethyl)acetamide
SMILESO=C(COCc1nc2ccccc2s1)NCC1CC1
InChIInChI=1S/C14H16N2O2S/c17-13(15-7-10-5-6-10)8-18-9-14-16-11-3-1-2-4-12(11)19-14/h1-4,10H,5-9H2,(H,15,17)
InChIKeyJELVDMKRBRBBMS-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.34
Rot. Bonds6

About 2-(1,3-benzothiazol-2-ylmethoxy)-N-(cyclopropylmethyl)acetamide

2-(1,3-benzothiazol-2-ylmethoxy)-N-(cyclopropylmethyl)acetamide (PubChem CID 24667090) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethoxy)-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylmethoxy)-N-(cyclopropylmethyl)acetamide
PubChem CID24667090
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-(1,3-benzothiazol-2-ylmethoxy)-N-(cyclopropylmethyl)acetamide
SMILESO=C(COCc1nc2ccccc2s1)NCC1CC1
InChIInChI=1S/C14H16N2O2S/c17-13(15-7-10-5-6-10)8-18-9-14-16-11-3-1-2-4-12(11)19-14/h1-4,10H,5-9H2,(H,15,17)
InChIKeyJELVDMKRBRBBMS-UHFFFAOYSA-N
XLogP2.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-N-cyclopropylacetamide
CID 18163807
2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-phenylpropyl)acetamide
CID 43012669
2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylcyclohexyl)acetamide
CID 24537642
2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-thiophen-3-ylethyl)acetamide
CID 46399966
2-(1,3-benzothiazol-2-yl)-N-(cyclopropylmethyl)ethanamine
CID 43654900
2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(4-chlorophenoxy)ethyl]acetamide
CID 24548350
3-(1,3-benzothiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide
CID 94171701
2-(1,3-benzothiazol-2-ylmethoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 24550639
2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 9159715
[2-oxo-2-(propylamino)ethyl] 2-(1,3-benzothiazol-2-ylmethoxy)acetate
CID 8519188
N-[2-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]ethyl]furan-2-carboxamide
CID 43049275
2-(1,3-benzothiazol-2-ylmethoxy)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 35235298

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-N-(cyclopropylmethyl)acetamide (CID 24667090) is 2-(1,3-benzothiazol-2-ylmethoxy)-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethoxy)-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethoxy)-N-(cyclopropylmethyl)acetamide is O=C(COCc1nc2ccccc2s1)NCC1CC1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethoxy)-N-(cyclopropylmethyl)acetamide?
The InChIKey is JELVDMKRBRBBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c17-13(15-7-10-5-6-10)8-18-9-14-16-11-3-1-2-4-12(11)19-14/h1-4,10H,5-9H2,(H,15,17).
What are the key properties of 2-(1,3-benzothiazol-2-ylmethoxy)-N-(cyclopropylmethyl)acetamide?
2-(1,3-benzothiazol-2-ylmethoxy)-N-(cyclopropylmethyl)acetamide has a molecular weight of 276.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylmethoxy)-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 24667090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).