N-(3,4-dipropoxyphenyl)-1,3-benzothiazole-6-carboxamide

C20H22N2O3S — CID 24643722

IUPACN-(3,4-dipropoxyphenyl)-1,3-benzothiazole-6-carboxamide
SMILESCCCOc1ccc(NC(=O)c2ccc3ncsc3c2)cc1OCCC
InChIInChI=1S/C20H22N2O3S/c1-3-9-24-17-8-6-15(12-18(17)25-10-4-2)22-20(23)14-5-7-16-19(11-14)26-13-21-16/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,22,23)
InChIKeyILBURGFBKZEKRN-UHFFFAOYSA-N
MW370.47 g/mol
LogP5.13
Rot. Bonds8

About N-(3,4-dipropoxyphenyl)-1,3-benzothiazole-6-carboxamide

N-(3,4-dipropoxyphenyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 24643722) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-(3,4-dipropoxyphenyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(3,4-dipropoxyphenyl)-1,3-benzothiazole-6-carboxamide
PubChem CID24643722
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-(3,4-dipropoxyphenyl)-1,3-benzothiazole-6-carboxamide
SMILESCCCOc1ccc(NC(=O)c2ccc3ncsc3c2)cc1OCCC
InChIInChI=1S/C20H22N2O3S/c1-3-9-24-17-8-6-15(12-18(17)25-10-4-2)22-20(23)14-5-7-16-19(11-14)26-13-21-16/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,22,23)
InChIKeyILBURGFBKZEKRN-UHFFFAOYSA-N
XLogP5.13
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.47
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 2488235
3-amino-N-(3,4-dipropoxyphenyl)benzamide
CID 119679445
N-(1,3-benzothiazol-5-yl)-4-butoxybenzamide
CID 18585507
N-(1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 2337792
N-(3,4-dipropoxyphenyl)-3,5-dimethylbenzamide
CID 7924147
N-[4-(hydroxycarbamoyl)phenyl]-3,4-dipropoxybenzamide
CID 141154638
methyl 3-(1,3-benzothiazole-6-carbonylamino)benzoate
CID 4797242
4-(aminomethyl)-N-(3,4-dipropoxyphenyl)benzamide
CID 119265999
N-(1,3-benzothiazol-5-yl)-3-butoxybenzamide
CID 18585520
N-[3-[(3,4-dipropoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55630389
N-(1,3-benzothiazol-6-yl)-3-hydroxy-4-methylbenzamide
CID 103956522
N-(3-amino-4-methoxyphenyl)-3,4-dipropoxybenzamide
CID 119420223

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dipropoxyphenyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(3,4-dipropoxyphenyl)-1,3-benzothiazole-6-carboxamide (CID 24643722) is N-(3,4-dipropoxyphenyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(3,4-dipropoxyphenyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(3,4-dipropoxyphenyl)-1,3-benzothiazole-6-carboxamide is CCCOc1ccc(NC(=O)c2ccc3ncsc3c2)cc1OCCC.
What is the InChIKey of N-(3,4-dipropoxyphenyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is ILBURGFBKZEKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-3-9-24-17-8-6-15(12-18(17)25-10-4-2)22-20(23)14-5-7-16-19(11-14)26-13-21-16/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,22,23).
What are the key properties of N-(3,4-dipropoxyphenyl)-1,3-benzothiazole-6-carboxamide?
N-(3,4-dipropoxyphenyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dipropoxyphenyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 24643722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).