2-(1,3-benzothiazol-2-ylmethoxy)-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)acetamide

C19H17ClN2O2S2 — CID 46656558

IUPAC2-(1,3-benzothiazol-2-ylmethoxy)-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
SMILESO=C(COCc1nc2ccccc2s1)NC1CCSc2ccc(Cl)cc21
InChIInChI=1S/C19H17ClN2O2S2/c20-12-5-6-16-13(9-12)14(7-8-25-16)21-18(23)10-24-11-19-22-15-3-1-2-4-17(15)26-19/h1-6,9,14H,7-8,10-11H2,(H,21,23)
InChIKeyRMHMWYZJSOQRES-UHFFFAOYSA-N
MW404.94 g/mol
LogP4.82
Rot. Bonds5

About 2-(1,3-benzothiazol-2-ylmethoxy)-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)acetamide

2-(1,3-benzothiazol-2-ylmethoxy)-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)acetamide (PubChem CID 46656558) has the molecular formula C19H17ClN2O2S2 and a molecular weight of 404.94 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethoxy)-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylmethoxy)-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
PubChem CID46656558
Molecular FormulaC19H17ClN2O2S2
Molecular Weight404.94 g/mol
Exact Mass404.04
IUPAC Name2-(1,3-benzothiazol-2-ylmethoxy)-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
SMILESO=C(COCc1nc2ccccc2s1)NC1CCSc2ccc(Cl)cc21
InChIInChI=1S/C19H17ClN2O2S2/c20-12-5-6-16-13(9-12)14(7-8-25-16)21-18(23)10-24-11-19-22-15-3-1-2-4-17(15)26-19/h1-6,9,14H,7-8,10-11H2,(H,21,23)
InChIKeyRMHMWYZJSOQRES-UHFFFAOYSA-N
XLogP4.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.94
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,3-benzothiazol-2-ylmethoxy)-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)acetamide with MolForge

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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-(2-methylcyclohexyl)acetamide
CID 24537642
2-(1,3-benzothiazol-2-ylmethoxy)-N-(cyclopropylmethyl)acetamide
CID 24667090
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 71898087
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-(2-methylphenyl)acetamide
CID 46656521
2-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-N-cyclopropylacetamide
CID 18163807
2-(1,3-benzothiazol-2-ylmethoxy)-N'-(3,4-dichlorophenyl)acetohydrazide
CID 39966204
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-(methylamino)acetamide;hydrochloride
CID 119696427
N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-2-pyrazol-1-ylacetamide
CID 39726216
4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide
CID 103154733
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylsulfanylpropanamide
CID 43045487
N'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-5-chloro-2-methoxybenzohydrazide
CID 9278562

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)acetamide (CID 46656558) is 2-(1,3-benzothiazol-2-ylmethoxy)-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethoxy)-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethoxy)-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)acetamide is O=C(COCc1nc2ccccc2s1)NC1CCSc2ccc(Cl)cc21.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethoxy)-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)acetamide?
The InChIKey is RMHMWYZJSOQRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S2/c20-12-5-6-16-13(9-12)14(7-8-25-16)21-18(23)10-24-11-19-22-15-3-1-2-4-17(15)26-19/h1-6,9,14H,7-8,10-11H2,(H,21,23).
What are the key properties of 2-(1,3-benzothiazol-2-ylmethoxy)-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)acetamide?
2-(1,3-benzothiazol-2-ylmethoxy)-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)acetamide has a molecular weight of 404.94 g/mol, XLogP of 4.82, 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-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)acetamide is sourced from PubChem (CID 46656558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).