[5-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methanamine

C8H12N2O2S — CID 66820044

IUPAC[5-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methanamine
SMILESCC1(c2cnc(CN)s2)OCCO1
InChIInChI=1S/C8H12N2O2S/c1-8(11-2-3-12-8)6-5-10-7(4-9)13-6/h5H,2-4,9H2,1H3
InChIKeyOBHXKIZZZONVPC-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.82
Rot. Bonds2

About [5-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methanamine

[5-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methanamine (PubChem CID 66820044) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is [5-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methanamine
PubChem CID66820044
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name[5-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methanamine
SMILESCC1(c2cnc(CN)s2)OCCO1
InChIInChI=1S/C8H12N2O2S/c1-8(11-2-3-12-8)6-5-10-7(4-9)13-6/h5H,2-4,9H2,1H3
InChIKeyOBHXKIZZZONVPC-UHFFFAOYSA-N
XLogP0.82
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methanamine (CID 66820044) is [5-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methanamine is CC1(c2cnc(CN)s2)OCCO1.
What is the InChIKey of [5-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is OBHXKIZZZONVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-8(11-2-3-12-8)6-5-10-7(4-9)13-6/h5H,2-4,9H2,1H3.
What are the key properties of [5-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methanamine?
[5-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 200.26 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 66820044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).