N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide

C21H16N2O4S — CID 42226983

IUPACN-(6-methyl-1,3-benzothiazol-2-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide
SMILESCc1ccc2nc(NC(=O)c3cc(=O)c(OCc4ccccc4)co3)sc2c1
InChIInChI=1S/C21H16N2O4S/c1-13-7-8-15-19(9-13)28-21(22-15)23-20(25)17-10-16(24)18(12-27-17)26-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,22,23,25)
InChIKeyWGVAKNKEFWYLFE-UHFFFAOYSA-N
MW392.44 g/mol
LogP4.39
Rot. Bonds5

About N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide

N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide (PubChem CID 42226983) has the molecular formula C21H16N2O4S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzothiazol-2-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide
PubChem CID42226983
Molecular FormulaC21H16N2O4S
Molecular Weight392.44 g/mol
Exact Mass392.08
IUPAC NameN-(6-methyl-1,3-benzothiazol-2-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide
SMILESCc1ccc2nc(NC(=O)c3cc(=O)c(OCc4ccccc4)co3)sc2c1
InChIInChI=1S/C21H16N2O4S/c1-13-7-8-15-19(9-13)28-21(22-15)23-20(25)17-10-16(24)18(12-27-17)26-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,22,23,25)
InChIKeyWGVAKNKEFWYLFE-UHFFFAOYSA-N
XLogP4.39
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide
CID 42227129
4-[(2,5-dimethylphenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 19471645
5-methoxy-N-(6-nitro-1,3-benzothiazol-2-yl)-4-oxopyran-2-carboxamide
CID 27378245
1-benzyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea
CID 42733059
N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 682912
5-[(3-methoxyphenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide
CID 42317250
5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 887647
N-(2-fluorophenyl)-4-oxo-5-phenylmethoxypyran-2-carboxamide
CID 45494955
4-oxo-5-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)pyran-2-carboxamide
CID 42227009
6-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
CID 4975352
N-(2-carbamoylphenyl)-4-oxo-5-phenylmethoxypyran-2-carboxamide
CID 42227017
benzyl N-[(2S)-1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 1035829

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide?
The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide (CID 42226983) is N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide.
What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide?
The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide is Cc1ccc2nc(NC(=O)c3cc(=O)c(OCc4ccccc4)co3)sc2c1.
What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide?
The InChIKey is WGVAKNKEFWYLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4S/c1-13-7-8-15-19(9-13)28-21(22-15)23-20(25)17-10-16(24)18(12-27-17)26-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,22,23,25).
What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide?
N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide has a molecular weight of 392.44 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide is sourced from PubChem (CID 42226983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).