2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide

C19H18N2O3S — CID 9159715

IUPAC2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide
SMILESO=C(COCc1nc2ccccc2s1)N[C@H]1CCOc2ccccc21
InChIInChI=1S/C19H18N2O3S/c22-18(20-14-9-10-24-16-7-3-1-5-13(14)16)11-23-12-19-21-15-6-2-4-8-17(15)25-19/h1-8,14H,9-12H2,(H,20,22)/t14-/m0/s1
InChIKeyLNGGLKJMEZUEMC-AWEZNQCLSA-N
MW354.43 g/mol
LogP3.45
Rot. Bonds5

About 2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide

2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide (PubChem CID 9159715) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide
PubChem CID9159715
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide
SMILESO=C(COCc1nc2ccccc2s1)N[C@H]1CCOc2ccccc21
InChIInChI=1S/C19H18N2O3S/c22-18(20-14-9-10-24-16-7-3-1-5-13(14)16)11-23-12-19-21-15-6-2-4-8-17(15)25-19/h1-8,14H,9-12H2,(H,20,22)/t14-/m0/s1
InChIKeyLNGGLKJMEZUEMC-AWEZNQCLSA-N
XLogP3.45
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzothiazol-2-ylmethoxy)-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 46656558
2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylcyclohexyl)acetamide
CID 24537642
2-(1,3-benzothiazol-2-ylmethoxy)-N-(cyclopropylmethyl)acetamide
CID 24667090
2-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-N-cyclopropylacetamide
CID 18163807
2-(1,3-benzothiazol-2-ylmethoxy)-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]acetamide
CID 94026140
2-(1,3-benzothiazol-2-ylmethoxy)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 35235298
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide
CID 63309102
2-(3,4-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 46828800
[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate
CID 46609348
2-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1,3-benzothiazole-6-carboxamide
CID 164875010
N-(3,4-dihydro-2H-chromen-4-yl)-2-naphthalen-1-ylacetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide (CID 9159715) is 2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide is O=C(COCc1nc2ccccc2s1)N[C@H]1CCOc2ccccc21.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide?
The InChIKey is LNGGLKJMEZUEMC-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18N2O3S/c22-18(20-14-9-10-24-16-7-3-1-5-13(14)16)11-23-12-19-21-15-6-2-4-8-17(15)25-19/h1-8,14H,9-12H2,(H,20,22)/t14-/m0/s1.
What are the key properties of 2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide?
2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide has a molecular weight of 354.43 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide is sourced from PubChem (CID 9159715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).