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

C10H9ClN2OS — CID 3532154

IUPAC4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(COc2ccc(Cl)cc2)cs1
InChIInChI=1S/C10H9ClN2OS/c11-7-1-3-9(4-2-7)14-5-8-6-15-10(12)13-8/h1-4,6H,5H2,(H2,12,13)
InChIKeyITWPIFDUTSFMLN-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.96
Rot. Bonds3

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

4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-amine (PubChem CID 3532154) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-amine
PubChem CID3532154
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(COc2ccc(Cl)cc2)cs1
InChIInChI=1S/C10H9ClN2OS/c11-7-1-3-9(4-2-7)14-5-8-6-15-10(12)13-8/h1-4,6H,5H2,(H2,12,13)
InChIKeyITWPIFDUTSFMLN-UHFFFAOYSA-N
XLogP2.96
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.96
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?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-amine (CID 3532154) is 4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-amine is Nc1nc(COc2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-amine?
The InChIKey is ITWPIFDUTSFMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c11-7-1-3-9(4-2-7)14-5-8-6-15-10(12)13-8/h1-4,6H,5H2,(H2,12,13).
What are the key properties of 4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-amine?
4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-amine has a molecular weight of 240.72 g/mol, XLogP of 2.96, 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 is sourced from PubChem (CID 3532154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).