4-chloro-N-(1,4-dioxan-2-ylmethyl)-1,3-thiazol-2-amine

C8H11ClN2O2S — CID 83152644

IUPAC4-chloro-N-(1,4-dioxan-2-ylmethyl)-1,3-thiazol-2-amine
SMILESClc1csc(NCC2COCCO2)n1
InChIInChI=1S/C8H11ClN2O2S/c9-7-5-14-8(11-7)10-3-6-4-12-1-2-13-6/h5-6H,1-4H2,(H,10,11)
InChIKeyOCMSDLZDJWKHRT-UHFFFAOYSA-N
MW234.71 g/mol
LogP1.62
Rot. Bonds3

About 4-chloro-N-(1,4-dioxan-2-ylmethyl)-1,3-thiazol-2-amine

4-chloro-N-(1,4-dioxan-2-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 83152644) has the molecular formula C8H11ClN2O2S and a molecular weight of 234.71 g/mol. Its IUPAC name is 4-chloro-N-(1,4-dioxan-2-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-(1,4-dioxan-2-ylmethyl)-1,3-thiazol-2-amine
PubChem CID83152644
Molecular FormulaC8H11ClN2O2S
Molecular Weight234.71 g/mol
Exact Mass234.02
IUPAC Name4-chloro-N-(1,4-dioxan-2-ylmethyl)-1,3-thiazol-2-amine
SMILESClc1csc(NCC2COCCO2)n1
InChIInChI=1S/C8H11ClN2O2S/c9-7-5-14-8(11-7)10-3-6-4-12-1-2-13-6/h5-6H,1-4H2,(H,10,11)
InChIKeyOCMSDLZDJWKHRT-UHFFFAOYSA-N
XLogP1.62
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,4-dioxan-2-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-(1,4-dioxan-2-ylmethyl)-1,3-thiazol-2-amine (CID 83152644) is 4-chloro-N-(1,4-dioxan-2-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-(1,4-dioxan-2-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-(1,4-dioxan-2-ylmethyl)-1,3-thiazol-2-amine is Clc1csc(NCC2COCCO2)n1.
What is the InChIKey of 4-chloro-N-(1,4-dioxan-2-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is OCMSDLZDJWKHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2S/c9-7-5-14-8(11-7)10-3-6-4-12-1-2-13-6/h5-6H,1-4H2,(H,10,11).
What are the key properties of 4-chloro-N-(1,4-dioxan-2-ylmethyl)-1,3-thiazol-2-amine?
4-chloro-N-(1,4-dioxan-2-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 234.71 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,4-dioxan-2-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 83152644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).