N-(1,3-thiazol-5-ylmethyl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine

C13H11N3O2S2 — CID 75498215

IUPACN-(1,3-thiazol-5-ylmethyl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine
SMILESc1ncc(CNc2nc3cc4c(cc3s2)OCCO4)s1
InChIInChI=1S/C13H11N3O2S2/c1-2-18-11-4-12-9(3-10(11)17-1)16-13(20-12)15-6-8-5-14-7-19-8/h3-5,7H,1-2,6H2,(H,15,16)
InChIKeyFDPLISQQPUHMKL-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.14
Rot. Bonds3

About N-(1,3-thiazol-5-ylmethyl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine

N-(1,3-thiazol-5-ylmethyl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine (PubChem CID 75498215) has the molecular formula C13H11N3O2S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(1,3-thiazol-5-ylmethyl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine.

Molecular Properties

Compound NameN-(1,3-thiazol-5-ylmethyl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine
PubChem CID75498215
Molecular FormulaC13H11N3O2S2
Molecular Weight305.38 g/mol
Exact Mass305.03
IUPAC NameN-(1,3-thiazol-5-ylmethyl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine
SMILESc1ncc(CNc2nc3cc4c(cc3s2)OCCO4)s1
InChIInChI=1S/C13H11N3O2S2/c1-2-18-11-4-12-9(3-10(11)17-1)16-13(20-12)15-6-8-5-14-7-19-8/h3-5,7H,1-2,6H2,(H,15,16)
InChIKeyFDPLISQQPUHMKL-UHFFFAOYSA-N
XLogP3.14
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1,3-thiazol-5-ylmethyl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine with MolForge

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Related Compounds

6-ethoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine
CID 115924915
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-7,8-dihydro-6H-[1,4]dioxepino[2,3-f][1,3]benzothiazol-2-amine
CID 136533900
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methylbutanamide
CID 24626023
N-[2-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 43019026
2-tert-butyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole
CID 59857437
1-[(4-chlorophenyl)methyl]-3-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)urea
CID 121081013
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide
CID 7597039
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 7203043
2-(4-bromophenyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)acetamide
CID 42146333
2-cyclohexyl-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)acetamide
CID 43989525
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methoxy-3-methylbutanamide
CID 154839464
4-methoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine
CID 75498214

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-5-ylmethyl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine?
The IUPAC name of N-(1,3-thiazol-5-ylmethyl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine (CID 75498215) is N-(1,3-thiazol-5-ylmethyl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine.
What is the SMILES notation for N-(1,3-thiazol-5-ylmethyl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine?
The canonical SMILES for N-(1,3-thiazol-5-ylmethyl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine is c1ncc(CNc2nc3cc4c(cc3s2)OCCO4)s1.
What is the InChIKey of N-(1,3-thiazol-5-ylmethyl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine?
The InChIKey is FDPLISQQPUHMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S2/c1-2-18-11-4-12-9(3-10(11)17-1)16-13(20-12)15-6-8-5-14-7-19-8/h3-5,7H,1-2,6H2,(H,15,16).
What are the key properties of N-(1,3-thiazol-5-ylmethyl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine?
N-(1,3-thiazol-5-ylmethyl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine has a molecular weight of 305.38 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-5-ylmethyl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine is sourced from PubChem (CID 75498215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).