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

C7H9ClN2O2S — CID 107126096

IUPAC[2-(5-chloro-1,3-thiazol-2-yl)-1,3-dioxolan-4-yl]methanamine
SMILESNCC1COC(c2ncc(Cl)s2)O1
InChIInChI=1S/C7H9ClN2O2S/c8-5-2-10-6(13-5)7-11-3-4(1-9)12-7/h2,4,7H,1,3,9H2
InChIKeyXKBCLNVZNZUKIB-UHFFFAOYSA-N
MW220.68 g/mol
LogP1.17
Rot. Bonds2

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

[2-(5-chloro-1,3-thiazol-2-yl)-1,3-dioxolan-4-yl]methanamine (PubChem CID 107126096) has the molecular formula C7H9ClN2O2S and a molecular weight of 220.68 g/mol. Its IUPAC name is [2-(5-chloro-1,3-thiazol-2-yl)-1,3-dioxolan-4-yl]methanamine.

Molecular Properties

Compound Name[2-(5-chloro-1,3-thiazol-2-yl)-1,3-dioxolan-4-yl]methanamine
PubChem CID107126096
Molecular FormulaC7H9ClN2O2S
Molecular Weight220.68 g/mol
Exact Mass220.01
IUPAC Name[2-(5-chloro-1,3-thiazol-2-yl)-1,3-dioxolan-4-yl]methanamine
SMILESNCC1COC(c2ncc(Cl)s2)O1
InChIInChI=1S/C7H9ClN2O2S/c8-5-2-10-6(13-5)7-11-3-4(1-9)12-7/h2,4,7H,1,3,9H2
InChIKeyXKBCLNVZNZUKIB-UHFFFAOYSA-N
XLogP1.17
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-1,3-thiazol-2-yl)-1,3-dioxolan-4-yl]methanamine?
The IUPAC name of [2-(5-chloro-1,3-thiazol-2-yl)-1,3-dioxolan-4-yl]methanamine (CID 107126096) is [2-(5-chloro-1,3-thiazol-2-yl)-1,3-dioxolan-4-yl]methanamine.
What is the SMILES notation for [2-(5-chloro-1,3-thiazol-2-yl)-1,3-dioxolan-4-yl]methanamine?
The canonical SMILES for [2-(5-chloro-1,3-thiazol-2-yl)-1,3-dioxolan-4-yl]methanamine is NCC1COC(c2ncc(Cl)s2)O1.
What is the InChIKey of [2-(5-chloro-1,3-thiazol-2-yl)-1,3-dioxolan-4-yl]methanamine?
The InChIKey is XKBCLNVZNZUKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2S/c8-5-2-10-6(13-5)7-11-3-4(1-9)12-7/h2,4,7H,1,3,9H2.
What are the key properties of [2-(5-chloro-1,3-thiazol-2-yl)-1,3-dioxolan-4-yl]methanamine?
[2-(5-chloro-1,3-thiazol-2-yl)-1,3-dioxolan-4-yl]methanamine has a molecular weight of 220.68 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-1,3-thiazol-2-yl)-1,3-dioxolan-4-yl]methanamine is sourced from PubChem (CID 107126096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).