[4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]methanamine

C13H14N2O2S — CID 116868184

IUPAC[4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]methanamine
SMILESCc1cc2c(cc1-c1nc(C)c(CN)s1)OCO2
InChIInChI=1S/C13H14N2O2S/c1-7-3-10-11(17-6-16-10)4-9(7)13-15-8(2)12(5-14)18-13/h3-4H,5-6,14H2,1-2H3
InChIKeyCFFBGSHRCVPLNT-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.61
Rot. Bonds2

About [4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]methanamine

[4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 116868184) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is [4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID116868184
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name[4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]methanamine
SMILESCc1cc2c(cc1-c1nc(C)c(CN)s1)OCO2
InChIInChI=1S/C13H14N2O2S/c1-7-3-10-11(17-6-16-10)4-9(7)13-15-8(2)12(5-14)18-13/h3-4H,5-6,14H2,1-2H3
InChIKeyCFFBGSHRCVPLNT-UHFFFAOYSA-N
XLogP2.61
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[2-(6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methanamine
CID 116868246
[2-methyl-6-(6-methyl-1,3-benzodioxol-5-yl)pyrimidin-4-yl]methanamine
CID 116857676
[4-methyl-6-(6-methyl-1,3-benzodioxol-5-yl)pyrimidin-2-yl]methanamine
CID 116892370
5-methyl-4-(6-methyl-1,3-benzodioxol-5-yl)-1,3-oxazol-2-amine
CID 116831874
(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
CID 2795495
[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 106793124
[2-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-1H-pyrrol-3-yl]methanamine
CID 116828215
[4-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 107935513
[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82133642
3-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole
CID 116869000
[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methanamine
CID 65197733
[2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82800650

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]methanamine (CID 116868184) is [4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]methanamine is Cc1cc2c(cc1-c1nc(C)c(CN)s1)OCO2.
What is the InChIKey of [4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is CFFBGSHRCVPLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-7-3-10-11(17-6-16-10)4-9(7)13-15-8(2)12(5-14)18-13/h3-4H,5-6,14H2,1-2H3.
What are the key properties of [4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]methanamine?
[4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 262.33 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 116868184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).