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

C10H9ClN2O2S2 — CID 84715904

IUPAC4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2sc(Cl)c3c2OCCO3)cs1
InChIInChI=1S/C10H9ClN2O2S2/c1-12-10-13-5(4-16-10)8-6-7(9(11)17-8)15-3-2-14-6/h4H,2-3H2,1H3,(H,12,13)
InChIKeyAOKHLBLXJFVRKC-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.34
Rot. Bonds2

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

4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 84715904) has the molecular formula C10H9ClN2O2S2 and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N-methyl-1,3-thiazol-2-amine
PubChem CID84715904
Molecular FormulaC10H9ClN2O2S2
Molecular Weight288.78 g/mol
Exact Mass287.98
IUPAC Name4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2sc(Cl)c3c2OCCO3)cs1
InChIInChI=1S/C10H9ClN2O2S2/c1-12-10-13-5(4-16-10)8-6-7(9(11)17-8)15-3-2-14-6/h4H,2-3H2,1H3,(H,12,13)
InChIKeyAOKHLBLXJFVRKC-UHFFFAOYSA-N
XLogP3.34
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N,5-dimethyl-1,3-thiazol-2-amine
CID 84715905
ethyl 2-[4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-1,3-thiazol-2-yl]acetate
CID 84715921
N-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82426558
4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-N-methyl-1,3-thiazol-2-amine
CID 82438273
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-1,3-thiazol-2-amine
CID 9441746
N-methyl-4-[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82434613
4-[2-(furan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine
CID 82435110
4-(2-bromo-4-chlorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 86657697
N-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 104693355
4-[2-(diethylaminomethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine
CID 82430456
N-methyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 60642187
4-[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine
CID 82439363

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N-methyl-1,3-thiazol-2-amine (CID 84715904) is 4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N-methyl-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-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N-methyl-1,3-thiazol-2-amine is CNc1nc(-c2sc(Cl)c3c2OCCO3)cs1.
What is the InChIKey of 4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is AOKHLBLXJFVRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S2/c1-12-10-13-5(4-16-10)8-6-7(9(11)17-8)15-3-2-14-6/h4H,2-3H2,1H3,(H,12,13).
What are the key properties of 4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N-methyl-1,3-thiazol-2-amine?
4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 288.78 g/mol, XLogP of 3.34, 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-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 84715904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).