N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)cyclohexanecarboxamide

C16H18N2O3S — CID 2330217

IUPACN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)cyclohexanecarboxamide
SMILESO=C(Nc1nc2cc3c(cc2s1)OCCO3)C1CCCCC1
InChIInChI=1S/C16H18N2O3S/c19-15(10-4-2-1-3-5-10)18-16-17-11-8-12-13(9-14(11)22-16)21-7-6-20-12/h8-10H,1-7H2,(H,17,18,19)
InChIKeyRGVWRGXYMZSDFE-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.59
Rot. Bonds2

About N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)cyclohexanecarboxamide

N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)cyclohexanecarboxamide (PubChem CID 2330217) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)cyclohexanecarboxamide
PubChem CID2330217
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)cyclohexanecarboxamide
SMILESO=C(Nc1nc2cc3c(cc2s1)OCCO3)C1CCCCC1
InChIInChI=1S/C16H18N2O3S/c19-15(10-4-2-1-3-5-10)18-16-17-11-8-12-13(9-14(11)22-16)21-7-6-20-12/h8-10H,1-7H2,(H,17,18,19)
InChIKeyRGVWRGXYMZSDFE-UHFFFAOYSA-N
XLogP3.59
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

10,13-Dioxa-4-thia-6-azatricyclo(7.4.0.0,3,7)trideca-1(9),2,5,7-tetraen-5-amine
CID 771615
N-[6-(4-fluoro-3-{2-[3-(trifluoromethyl)phenyl]acetamido}phenoxy)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
CID 138393290
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclopropanecarboxamide
CID 7202928
(2S)-N-(6,7-Dihydro[1,4]dioxino[2,3-f]benzothiazol-2-yl)-1-(methylsulfonyl)-2-piperidinecarboxamide
CID 25881665
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 2382005
N-(6,7-dihydro-[1,4]dioxino[2',3':4,5]benzo[1,2-d]thiazol-2-yl)isobutyramide
CID 5141758
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclohexanecarboxamide
CID 7189860
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)thiophene-2-carboxamide
CID 7202770
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,2-dimethylpropanamide
CID 7202949
methyl N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)carbamate
CID 817755
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)acetamide
CID 2677091
N-[6-[4-fluoro-3-[(3-methylphenyl)carbamoylamino]phenoxy]-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
CID 141735079

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)cyclohexanecarboxamide (CID 2330217) is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)cyclohexanecarboxamide is O=C(Nc1nc2cc3c(cc2s1)OCCO3)C1CCCCC1.
What is the InChIKey of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)cyclohexanecarboxamide?
The InChIKey is RGVWRGXYMZSDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c19-15(10-4-2-1-3-5-10)18-16-17-11-8-12-13(9-14(11)22-16)21-7-6-20-12/h8-10H,1-7H2,(H,17,18,19).
What are the key properties of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)cyclohexanecarboxamide?
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)cyclohexanecarboxamide has a molecular weight of 318.40 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 2330217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).