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

C13H14N2O3S — CID 5141758

IUPACN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc2cc3c(cc2s1)OCCO3
InChIInChI=1S/C13H14N2O3S/c1-7(2)12(16)15-13-14-8-5-9-10(6-11(8)19-13)18-4-3-17-9/h5-7H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyYTMPMYHRCSFHHD-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.66
Rot. Bonds2

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

N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methylpropanamide (PubChem CID 5141758) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methylpropanamide
PubChem CID5141758
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC NameN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc2cc3c(cc2s1)OCCO3
InChIInChI=1S/C13H14N2O3S/c1-7(2)12(16)15-13-14-8-5-9-10(6-11(8)19-13)18-4-3-17-9/h5-7H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyYTMPMYHRCSFHHD-UHFFFAOYSA-N
XLogP2.66
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Tioxidazole
CID 72157
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-(5-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 655817
N-(6-methoxybenzo[d]thiazol-2-yl)acetamide
CID 2306705
5,6-Dimethoxy-1,3-benzothiazol-2-amine
CID 94938
Butanamide, N-(6-ethoxy-2-benzothiazolyl)-3-oxo-
CID 96209
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 3254649
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)pyridine-4-carboxamide
CID 2331328
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 2382005
6-methoxy-N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7086349

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methylpropanamide?
The IUPAC name of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methylpropanamide (CID 5141758) is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methylpropanamide is CC(C)C(=O)Nc1nc2cc3c(cc2s1)OCCO3.
What is the InChIKey of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methylpropanamide?
The InChIKey is YTMPMYHRCSFHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-7(2)12(16)15-13-14-8-5-9-10(6-11(8)19-13)18-4-3-17-9/h5-7H,3-4H2,1-2H3,(H,14,15,16).
What are the key properties of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methylpropanamide?
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methylpropanamide has a molecular weight of 278.33 g/mol, XLogP of 2.66, 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)-2-methylpropanamide is sourced from PubChem (CID 5141758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).