4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N,5-dimethyl-1,3-thiazol-2-amine

C11H11ClN2O2S2 — CID 84715905

IUPAC4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N,5-dimethyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2sc(Cl)c3c2OCCO3)c(C)s1
InChIInChI=1S/C11H11ClN2O2S2/c1-5-6(14-11(13-2)17-5)9-7-8(10(12)18-9)16-4-3-15-7/h3-4H2,1-2H3,(H,13,14)
InChIKeyGYDXFLHDRMLIAY-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.65
Rot. Bonds2

About 4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N,5-dimethyl-1,3-thiazol-2-amine

4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 84715905) has the molecular formula C11H11ClN2O2S2 and a molecular weight of 302.81 g/mol. Its IUPAC name is 4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N,5-dimethyl-1,3-thiazol-2-amine
PubChem CID84715905
Molecular FormulaC11H11ClN2O2S2
Molecular Weight302.81 g/mol
Exact Mass302.00
IUPAC Name4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N,5-dimethyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2sc(Cl)c3c2OCCO3)c(C)s1
InChIInChI=1S/C11H11ClN2O2S2/c1-5-6(14-11(13-2)17-5)9-7-8(10(12)18-9)16-4-3-15-7/h3-4H2,1-2H3,(H,13,14)
InChIKeyGYDXFLHDRMLIAY-UHFFFAOYSA-N
XLogP3.65
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N,5-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N,5-dimethyl-1,3-thiazol-2-amine (CID 84715905) is 4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N,5-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N,5-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N,5-dimethyl-1,3-thiazol-2-amine is CNc1nc(-c2sc(Cl)c3c2OCCO3)c(C)s1.
What is the InChIKey of 4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is GYDXFLHDRMLIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S2/c1-5-6(14-11(13-2)17-5)9-7-8(10(12)18-9)16-4-3-15-7/h3-4H2,1-2H3,(H,13,14).
What are the key properties of 4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N,5-dimethyl-1,3-thiazol-2-amine?
4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 302.81 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 84715905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).