4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-2,5-diamine

C12H13N3O2S — CID 82485977

IUPAC4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-2,5-diamine
SMILESCc1cc2c(cc1-c1nc(N)sc1N)OCCO2
InChIInChI=1S/C12H13N3O2S/c1-6-4-8-9(17-3-2-16-8)5-7(6)10-11(13)18-12(14)15-10/h4-5H,2-3,13H2,1H3,(H2,14,15)
InChIKeyRXGMFOIVHRPFBL-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.05
Rot. Bonds1

About 4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-2,5-diamine

4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-2,5-diamine (PubChem CID 82485977) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-2,5-diamine
PubChem CID82485977
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-2,5-diamine
SMILESCc1cc2c(cc1-c1nc(N)sc1N)OCCO2
InChIInChI=1S/C12H13N3O2S/c1-6-4-8-9(17-3-2-16-8)5-7(6)10-11(13)18-12(14)15-10/h4-5H,2-3,13H2,1H3,(H2,14,15)
InChIKeyRXGMFOIVHRPFBL-UHFFFAOYSA-N
XLogP2.05
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-1-methyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-2-amine
CID 84605817
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazole-2,5-diamine
CID 82342225
[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]hydrazine
CID 116892108
5-methyl-4-(6-methyl-1,3-benzodioxol-5-yl)-1,3-oxazol-2-amine
CID 116831874
2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-thiol
CID 116889667
ethane;7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 145173589
4-amino-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-5-carbonitrile
CID 116865137
[4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]methanamine
CID 82482950
4-bromo-1,2-dimethyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)imidazole
CID 84605513
2-[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-5-yl]ethanamine
CID 82484043
4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 842777
4-(2,5-difluorophenyl)-1,3-thiazole-2,5-diamine
CID 82342230

Frequently Asked Questions

What is the IUPAC name of 4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-2,5-diamine?
The IUPAC name of 4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-2,5-diamine (CID 82485977) is 4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-2,5-diamine?
The canonical SMILES for 4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-2,5-diamine is Cc1cc2c(cc1-c1nc(N)sc1N)OCCO2.
What is the InChIKey of 4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-2,5-diamine?
The InChIKey is RXGMFOIVHRPFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-6-4-8-9(17-3-2-16-8)5-7(6)10-11(13)18-12(14)15-10/h4-5H,2-3,13H2,1H3,(H2,14,15).
What are the key properties of 4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-2,5-diamine?
4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-2,5-diamine has a molecular weight of 263.32 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 82485977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).