5-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-amine

C10H9ClN2OS — CID 117214491

IUPAC5-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-amine
SMILESNc1ncsc1COc1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN2OS/c11-7-1-3-8(4-2-7)14-5-9-10(12)13-6-15-9/h1-4,6H,5,12H2
InChIKeyQYYBVFRZZRENQX-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.96
Rot. Bonds3

About 5-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-amine

5-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-amine (PubChem CID 117214491) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 5-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-amine.

Molecular Properties

Compound Name5-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-amine
PubChem CID117214491
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name5-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-amine
SMILESNc1ncsc1COc1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN2OS/c11-7-1-3-8(4-2-7)14-5-9-10(12)13-6-15-9/h1-4,6H,5,12H2
InChIKeyQYYBVFRZZRENQX-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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Related Compounds

5-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-amine
CID 117214469
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanamine
CID 28918170
3-(4-chlorophenoxy)propan-1-amine;hydrochloride
CID 53439626
[2-[(4-chlorophenoxy)methyl]-1H-imidazol-5-yl]methanamine
CID 82292085
2-[(4-chlorophenoxy)methyl]-3-methylimidazol-4-amine
CID 117188413
3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117257021
[5-[(4-chlorophenoxy)methyl]-1-propan-2-yltriazol-4-yl]methanamine
CID 82207067
6-[(4-chlorophenoxy)methyl]-1,2-benzoxazol-3-amine
CID 10221194
2-chloro-5-[(4-chlorophenoxy)methyl]pyrazine
CID 103054702
3-[4-(4-chlorophenoxy)phenoxy]propan-1-amine
CID 154815318
2-[(4-chlorophenoxy)methyl]-[1,3]oxazolo[5,4-b]pyridin-6-amine
CID 82337788
5-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-4-methyl-1,3-thiazole
CID 163255067

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-amine?
The IUPAC name of 5-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-amine (CID 117214491) is 5-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-amine.
What is the SMILES notation for 5-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-amine?
The canonical SMILES for 5-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-amine is Nc1ncsc1COc1ccc(Cl)cc1.
What is the InChIKey of 5-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-amine?
The InChIKey is QYYBVFRZZRENQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c11-7-1-3-8(4-2-7)14-5-9-10(12)13-6-15-9/h1-4,6H,5,12H2.
What are the key properties of 5-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-amine?
5-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-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 5-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-amine is sourced from PubChem (CID 117214491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).