4-(phenoxymethyl)-1,3-thiazol-2-amine;hydrochloride

C10H11ClN2OS — CID 134690878

IUPAC4-(phenoxymethyl)-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1nc(COc2ccccc2)cs1
InChIInChI=1S/C10H10N2OS.ClH/c11-10-12-8(7-14-10)6-13-9-4-2-1-3-5-9;/h1-5,7H,6H2,(H2,11,12);1H
InChIKeyFLEPWMUYUITNHJ-UHFFFAOYSA-N
MW242.73 g/mol
LogP2.73
Rot. Bonds3

About 4-(phenoxymethyl)-1,3-thiazol-2-amine;hydrochloride

4-(phenoxymethyl)-1,3-thiazol-2-amine;hydrochloride (PubChem CID 134690878) has the molecular formula C10H11ClN2OS and a molecular weight of 242.73 g/mol. Its IUPAC name is 4-(phenoxymethyl)-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name4-(phenoxymethyl)-1,3-thiazol-2-amine;hydrochloride
PubChem CID134690878
Molecular FormulaC10H11ClN2OS
Molecular Weight242.73 g/mol
Exact Mass242.03
IUPAC Name4-(phenoxymethyl)-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1nc(COc2ccccc2)cs1
InChIInChI=1S/C10H10N2OS.ClH/c11-10-12-8(7-14-10)6-13-9-4-2-1-3-5-9;/h1-5,7H,6H2,(H2,11,12);1H
InChIKeyFLEPWMUYUITNHJ-UHFFFAOYSA-N
XLogP2.73
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(phenoxymethyl)-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 4-(phenoxymethyl)-1,3-thiazol-2-amine;hydrochloride (CID 134690878) is 4-(phenoxymethyl)-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 4-(phenoxymethyl)-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 4-(phenoxymethyl)-1,3-thiazol-2-amine;hydrochloride is Cl.Nc1nc(COc2ccccc2)cs1.
What is the InChIKey of 4-(phenoxymethyl)-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is FLEPWMUYUITNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS.ClH/c11-10-12-8(7-14-10)6-13-9-4-2-1-3-5-9;/h1-5,7H,6H2,(H2,11,12);1H.
What are the key properties of 4-(phenoxymethyl)-1,3-thiazol-2-amine;hydrochloride?
4-(phenoxymethyl)-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 242.73 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenoxymethyl)-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 134690878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).