1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine

C10H16N2O2S — CID 42656309

IUPAC1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESCC1(C)OCC(CNCc2nccs2)O1
InChIInChI=1S/C10H16N2O2S/c1-10(2)13-7-8(14-10)5-11-6-9-12-3-4-15-9/h3-4,8,11H,5-7H2,1-2H3
InChIKeyAMJXNHXWRKVLHY-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.38
Rot. Bonds4

About 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine

1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 42656309) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID42656309
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESCC1(C)OCC(CNCc2nccs2)O1
InChIInChI=1S/C10H16N2O2S/c1-10(2)13-7-8(14-10)5-11-6-9-12-3-4-15-9/h3-4,8,11H,5-7H2,1-2H3
InChIKeyAMJXNHXWRKVLHY-UHFFFAOYSA-N
XLogP1.38
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 42656309) is 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine is CC1(C)OCC(CNCc2nccs2)O1.
What is the InChIKey of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is AMJXNHXWRKVLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-10(2)13-7-8(14-10)5-11-6-9-12-3-4-15-9/h3-4,8,11H,5-7H2,1-2H3.
What are the key properties of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 228.32 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 42656309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).