[2-(5-ethyl-1,3-thiazol-2-yl)-1,3-dioxolan-4-yl]methanamine

C9H14N2O2S — CID 130965347

IUPAC[2-(5-ethyl-1,3-thiazol-2-yl)-1,3-dioxolan-4-yl]methanamine
SMILESCCc1cnc(C2OCC(CN)O2)s1
InChIInChI=1S/C9H14N2O2S/c1-2-7-4-11-8(14-7)9-12-5-6(3-10)13-9/h4,6,9H,2-3,5,10H2,1H3
InChIKeyCCYBWIASEAFAMP-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.08
Rot. Bonds3

About [2-(5-ethyl-1,3-thiazol-2-yl)-1,3-dioxolan-4-yl]methanamine

[2-(5-ethyl-1,3-thiazol-2-yl)-1,3-dioxolan-4-yl]methanamine (PubChem CID 130965347) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is [2-(5-ethyl-1,3-thiazol-2-yl)-1,3-dioxolan-4-yl]methanamine.

Molecular Properties

Compound Name[2-(5-ethyl-1,3-thiazol-2-yl)-1,3-dioxolan-4-yl]methanamine
PubChem CID130965347
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name[2-(5-ethyl-1,3-thiazol-2-yl)-1,3-dioxolan-4-yl]methanamine
SMILESCCc1cnc(C2OCC(CN)O2)s1
InChIInChI=1S/C9H14N2O2S/c1-2-7-4-11-8(14-7)9-12-5-6(3-10)13-9/h4,6,9H,2-3,5,10H2,1H3
InChIKeyCCYBWIASEAFAMP-UHFFFAOYSA-N
XLogP1.08
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(5-ethyl-1,3-thiazol-2-yl)-1,3-dioxolan-4-yl]methanamine?
The IUPAC name of [2-(5-ethyl-1,3-thiazol-2-yl)-1,3-dioxolan-4-yl]methanamine (CID 130965347) is [2-(5-ethyl-1,3-thiazol-2-yl)-1,3-dioxolan-4-yl]methanamine.
What is the SMILES notation for [2-(5-ethyl-1,3-thiazol-2-yl)-1,3-dioxolan-4-yl]methanamine?
The canonical SMILES for [2-(5-ethyl-1,3-thiazol-2-yl)-1,3-dioxolan-4-yl]methanamine is CCc1cnc(C2OCC(CN)O2)s1.
What is the InChIKey of [2-(5-ethyl-1,3-thiazol-2-yl)-1,3-dioxolan-4-yl]methanamine?
The InChIKey is CCYBWIASEAFAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-2-7-4-11-8(14-7)9-12-5-6(3-10)13-9/h4,6,9H,2-3,5,10H2,1H3.
What are the key properties of [2-(5-ethyl-1,3-thiazol-2-yl)-1,3-dioxolan-4-yl]methanamine?
[2-(5-ethyl-1,3-thiazol-2-yl)-1,3-dioxolan-4-yl]methanamine has a molecular weight of 214.29 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-ethyl-1,3-thiazol-2-yl)-1,3-dioxolan-4-yl]methanamine is sourced from PubChem (CID 130965347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).