N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-benzothiazole-6-carboxamide

C16H11ClN2O3S — CID 24556549

IUPACN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1cc2c(cc1Cl)OCCO2)c1ccc2ncsc2c1
InChIInChI=1S/C16H11ClN2O3S/c17-10-6-13-14(22-4-3-21-13)7-12(10)19-16(20)9-1-2-11-15(5-9)23-8-18-11/h1-2,5-8H,3-4H2,(H,19,20)
InChIKeySSSRADQCGCYEGM-UHFFFAOYSA-N
MW346.80 g/mol
LogP3.97
Rot. Bonds2

About N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-benzothiazole-6-carboxamide

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-benzothiazole-6-carboxamide (PubChem CID 24556549) has the molecular formula C16H11ClN2O3S and a molecular weight of 346.80 g/mol. Its IUPAC name is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-benzothiazole-6-carboxamide
PubChem CID24556549
Molecular FormulaC16H11ClN2O3S
Molecular Weight346.80 g/mol
Exact Mass346.02
IUPAC NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1cc2c(cc1Cl)OCCO2)c1ccc2ncsc2c1
InChIInChI=1S/C16H11ClN2O3S/c17-10-6-13-14(22-4-3-21-13)7-12(10)19-16(20)9-1-2-11-15(5-9)23-8-18-11/h1-2,5-8H,3-4H2,(H,19,20)
InChIKeySSSRADQCGCYEGM-UHFFFAOYSA-N
XLogP3.97
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.80
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-benzothiazole-6-carboxamide (CID 24556549) is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-benzothiazole-6-carboxamide is O=C(Nc1cc2c(cc1Cl)OCCO2)c1ccc2ncsc2c1.
What is the InChIKey of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is SSSRADQCGCYEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O3S/c17-10-6-13-14(22-4-3-21-13)7-12(10)19-16(20)9-1-2-11-15(5-9)23-8-18-11/h1-2,5-8H,3-4H2,(H,19,20).
What are the key properties of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-benzothiazole-6-carboxamide?
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 346.80 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 24556549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).