N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazolidin-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide

C18H20N4O2S — CID 130473452

IUPACN-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazolidin-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide
SMILESCc1ccc(C2NNC(NC(=O)C3Nc4ccccc4S3)O2)c(C)c1
InChIInChI=1S/C18H20N4O2S/c1-10-7-8-12(11(2)9-10)16-21-22-18(24-16)20-15(23)17-19-13-5-3-4-6-14(13)25-17/h3-9,16-19,21-22H,1-2H3,(H,20,23)
InChIKeyUFRBNQZGTCOANW-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.37
Rot. Bonds3

About N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazolidin-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide

N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazolidin-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide (PubChem CID 130473452) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazolidin-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazolidin-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide
PubChem CID130473452
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazolidin-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide
SMILESCc1ccc(C2NNC(NC(=O)C3Nc4ccccc4S3)O2)c(C)c1
InChIInChI=1S/C18H20N4O2S/c1-10-7-8-12(11(2)9-10)16-21-22-18(24-16)20-15(23)17-19-13-5-3-4-6-14(13)25-17/h3-9,16-19,21-22H,1-2H3,(H,20,23)
InChIKeyUFRBNQZGTCOANW-UHFFFAOYSA-N
XLogP2.37
TPSA74.42 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,3-dihydro-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-one
CID 140594652
N-[3-(ethylcarbamoylcarbamoyl)thiolan-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide
CID 123729004
ethyl N-[2-(2,3-dihydro-1,3-benzothiazole-2-carbonylamino)-5-phenylthiophene-3-carbonyl]carbamate
CID 121466828
(2R)-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 51374346
bis(2,3-dihydro-1,3-benzothiazol-2-yl)methanethione
CID 175478062
N-[3-(butanoylcarbamoyl)thiolan-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide
CID 123599404
ethyl N-[2-(2,3-dihydro-1,3-benzothiazole-2-carbonylamino)-2,3,3a,4,5,6,7,7a-octahydro-1-benzothiophene-3-carbonyl]carbamate
CID 123736807
(2S)-N-(2,4-dimethylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]propanamide
CID 2227143
cyclohexyl 2-(2,3-dihydro-1,3-benzothiazole-2-carbonylamino)-2,5-dihydrothiophene-3-carboxylate
CID 121467169
(3S)-N-(2,4-dimethylphenyl)-1-[(2S)-3-oxo-4H-1,4-benzothiazine-2-carbonyl]piperidine-3-carboxamide
CID 92896549
(3S)-N-(2,4-dimethylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 42584679
2-(2-ethoxyethoxy)ethyl N-[2-(2,3-dihydro-1,3-benzothiazole-2-carbonylamino)thiolane-3-carbonyl]carbamate
CID 123249845

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazolidin-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazolidin-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide (CID 130473452) is N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazolidin-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazolidin-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazolidin-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide is Cc1ccc(C2NNC(NC(=O)C3Nc4ccccc4S3)O2)c(C)c1.
What is the InChIKey of N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazolidin-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide?
The InChIKey is UFRBNQZGTCOANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-10-7-8-12(11(2)9-10)16-21-22-18(24-16)20-15(23)17-19-13-5-3-4-6-14(13)25-17/h3-9,16-19,21-22H,1-2H3,(H,20,23).
What are the key properties of N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazolidin-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide?
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazolidin-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 2.37, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazolidin-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 130473452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).