4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-amine;hydrochloride

C10H10Cl2N2OS — CID 119031855

IUPAC4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1nc(COc2ccc(Cl)cc2)cs1
InChIInChI=1S/C10H9ClN2OS.ClH/c11-7-1-3-9(4-2-7)14-5-8-6-15-10(12)13-8;/h1-4,6H,5H2,(H2,12,13);1H
InChIKeyZIEQTTNUMNDCMY-UHFFFAOYSA-N
MW277.18 g/mol
LogP3.38
Rot. Bonds3

About 4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-amine;hydrochloride

4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 119031855) has the molecular formula C10H10Cl2N2OS and a molecular weight of 277.18 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID119031855
Molecular FormulaC10H10Cl2N2OS
Molecular Weight277.18 g/mol
Exact Mass275.99
IUPAC Name4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1nc(COc2ccc(Cl)cc2)cs1
InChIInChI=1S/C10H9ClN2OS.ClH/c11-7-1-3-9(4-2-7)14-5-8-6-15-10(12)13-8;/h1-4,6H,5H2,(H2,12,13);1H
InChIKeyZIEQTTNUMNDCMY-UHFFFAOYSA-N
XLogP3.38
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.18
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-amine;hydrochloride (CID 119031855) is 4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-amine;hydrochloride is Cl.Nc1nc(COc2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is ZIEQTTNUMNDCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS.ClH/c11-7-1-3-9(4-2-7)14-5-8-6-15-10(12)13-8;/h1-4,6H,5H2,(H2,12,13);1H.
What are the key properties of 4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-amine;hydrochloride?
4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 277.18 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 119031855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).