N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

C12H14N2O2S — CID 43385958

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(Nc2ccc3c(c2)OCCO3)S1
InChIInChI=1S/C12H14N2O2S/c1-8-7-13-12(17-8)14-9-2-3-10-11(6-9)16-5-4-15-10/h2-3,6,8H,4-5,7H2,1H3,(H,13,14)
InChIKeyGYZFLZKYGOGOMD-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.36
Rot. Bonds1

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43385958) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43385958
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(Nc2ccc3c(c2)OCCO3)S1
InChIInChI=1S/C12H14N2O2S/c1-8-7-13-12(17-8)14-9-2-3-10-11(6-9)16-5-4-15-10/h2-3,6,8H,4-5,7H2,1H3,(H,13,14)
InChIKeyGYZFLZKYGOGOMD-UHFFFAOYSA-N
XLogP2.36
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine with MolForge

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Related Compounds

1-[4-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 7084301
N-(3,4-dihydro-2H-chromen-4-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 62366966
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-pyrrol-5-amine
CID 21179037
N-(3-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 82536030
N-(2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2826648
N-(4-tert-butyl-2,6-dimethylphenyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 167171498
N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068023
3,5-dichloro-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-methylpyridine-2,6-diamine
CID 102754992
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N-methylpyrimidine-4,5,6-triamine
CID 19135035
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80762848
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164830
2-N,2-N',4-N,4-N',6-N,6-N'-hexakis(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene-2,2,4,4,6,6-hexamine
CID 102502669

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 43385958) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is CC1CN=C(Nc2ccc3c(c2)OCCO3)S1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is GYZFLZKYGOGOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-8-7-13-12(17-8)14-9-2-3-10-11(6-9)16-5-4-15-10/h2-3,6,8H,4-5,7H2,1H3,(H,13,14).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 250.32 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43385958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).