N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine

C15H12N2O3S — CID 43968835

IUPACN-(4-methoxyphenyl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
SMILESCOc1ccc(Nc2nc3cc4c(cc3s2)OCO4)cc1
InChIInChI=1S/C15H12N2O3S/c1-18-10-4-2-9(3-5-10)16-15-17-11-6-12-13(20-8-19-12)7-14(11)21-15/h2-7H,8H2,1H3,(H,16,17)
InChIKeyJCLHPTLBVISMMG-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.78
Rot. Bonds3

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

N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine (PubChem CID 43968835) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
PubChem CID43968835
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC NameN-(4-methoxyphenyl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
SMILESCOc1ccc(Nc2nc3cc4c(cc3s2)OCO4)cc1
InChIInChI=1S/C15H12N2O3S/c1-18-10-4-2-9(3-5-10)16-15-17-11-6-12-13(20-8-19-12)7-14(11)21-15/h2-7H,8H2,1H3,(H,16,17)
InChIKeyJCLHPTLBVISMMG-UHFFFAOYSA-N
XLogP3.78
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methyl-1,3-benzothiazol-5-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
CID 43968771
N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-methoxybenzohydrazide
CID 43953308
6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7086355
N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
CID 7110097
5-(4-methoxyanilino)-12,14-dioxa-4-thia-2,6,7-triazatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,5,9,11(15)-pentaen-8-one
CID 27443539
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)acetamide
CID 5310257
N-(1,3-benzodioxol-5-yl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306395
N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine
CID 66554700
ethyl 2-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 7110088
N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,6-dimethoxybenzohydrazide
CID 43953324
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-benzothiazol-5-amine
CID 43968479

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
The IUPAC name of N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine (CID 43968835) is N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
The canonical SMILES for N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine is COc1ccc(Nc2nc3cc4c(cc3s2)OCO4)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
The InChIKey is JCLHPTLBVISMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-18-10-4-2-9(3-5-10)16-15-17-11-6-12-13(20-8-19-12)7-14(11)21-15/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine has a molecular weight of 300.34 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine is sourced from PubChem (CID 43968835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).