N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclohexanecarboxamide

C15H16N2O3S — CID 7189860

IUPACN-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclohexanecarboxamide
SMILESO=C(Nc1nc2cc3c(cc2s1)OCO3)C1CCCCC1
InChIInChI=1S/C15H16N2O3S/c18-14(9-4-2-1-3-5-9)17-15-16-10-6-11-12(20-8-19-11)7-13(10)21-15/h6-7,9H,1-5,8H2,(H,16,17,18)
InChIKeyXMRXWDVHHPOPJX-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.54
Rot. Bonds2

About N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclohexanecarboxamide

N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclohexanecarboxamide (PubChem CID 7189860) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclohexanecarboxamide
PubChem CID7189860
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclohexanecarboxamide
SMILESO=C(Nc1nc2cc3c(cc2s1)OCO3)C1CCCCC1
InChIInChI=1S/C15H16N2O3S/c18-14(9-4-2-1-3-5-9)17-15-16-10-6-11-12(20-8-19-11)7-13(10)21-15/h6-7,9H,1-5,8H2,(H,16,17,18)
InChIKeyXMRXWDVHHPOPJX-UHFFFAOYSA-N
XLogP3.54
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methoxybenzamide
CID 7189882
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclopropanecarboxamide
CID 7202928
N-(6,7-dihydro-[1,4]dioxino[2',3':4,5]benzo[1,2-d]thiazol-2-yl)isobutyramide
CID 5141758
1-[2-([1,3]Dioxolo[4,5-f][1,3]benzothiazol-6-ylamino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 7110089
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 7189863
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,2-dimethylpropanamide
CID 7202949
N-[6-[3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-4-fluorophenoxy]-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
CID 141735074
4,6-Dioxa-10-thia-12-azatricyclo(7.3.0.0,3,7)dodeca-1,3(7),8,11-tetraen-11-amine
CID 2049900
N-(5-methoxy-1,3-benzothiazol-2-yl)-3-methylbutanamide
CID 653438
N-(benzo[d][1,3]dioxol-5-yl)-1-(benzo[d]thiazol-2-yl)piperidine-3-carboxamide
CID 656056
N-(1,3-benzodioxol-5-yl)-4-phenyl-1,3-thiazol-2-amine
CID 684847
N-(6,7-dihydro-[1,4]dioxino[2',3':4,5]benzo[1,2-d]thiazol-2-yl)cyclohexanecarboxamide
CID 2330217

Frequently Asked Questions

What is the IUPAC name of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclohexanecarboxamide?
The IUPAC name of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclohexanecarboxamide (CID 7189860) is N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclohexanecarboxamide?
The canonical SMILES for N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclohexanecarboxamide is O=C(Nc1nc2cc3c(cc2s1)OCO3)C1CCCCC1.
What is the InChIKey of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclohexanecarboxamide?
The InChIKey is XMRXWDVHHPOPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c18-14(9-4-2-1-3-5-9)17-15-16-10-6-11-12(20-8-19-11)7-13(10)21-15/h6-7,9H,1-5,8H2,(H,16,17,18).
What are the key properties of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclohexanecarboxamide?
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclohexanecarboxamide has a molecular weight of 304.37 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclohexanecarboxamide is sourced from PubChem (CID 7189860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).