3-[(4-chlorophenyl)methyl]-1,2-thiazol-5-amine

C10H9ClN2S — CID 131260397

IUPAC3-[(4-chlorophenyl)methyl]-1,2-thiazol-5-amine
SMILESNc1cc(Cc2ccc(Cl)cc2)ns1
InChIInChI=1S/C10H9ClN2S/c11-8-3-1-7(2-4-8)5-9-6-10(12)14-13-9/h1-4,6H,5,12H2
InChIKeyYHGXNLYDEDLMGZ-UHFFFAOYSA-N
MW224.72 g/mol
LogP2.97
Rot. Bonds2

About 3-[(4-chlorophenyl)methyl]-1,2-thiazol-5-amine

3-[(4-chlorophenyl)methyl]-1,2-thiazol-5-amine (PubChem CID 131260397) has the molecular formula C10H9ClN2S and a molecular weight of 224.72 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-1,2-thiazol-5-amine
PubChem CID131260397
Molecular FormulaC10H9ClN2S
Molecular Weight224.72 g/mol
Exact Mass224.02
IUPAC Name3-[(4-chlorophenyl)methyl]-1,2-thiazol-5-amine
SMILESNc1cc(Cc2ccc(Cl)cc2)ns1
InChIInChI=1S/C10H9ClN2S/c11-8-3-1-7(2-4-8)5-9-6-10(12)14-13-9/h1-4,6H,5,12H2
InChIKeyYHGXNLYDEDLMGZ-UHFFFAOYSA-N
XLogP2.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.72
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-1,2-thiazol-5-amine?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-1,2-thiazol-5-amine (CID 131260397) is 3-[(4-chlorophenyl)methyl]-1,2-thiazol-5-amine.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-1,2-thiazol-5-amine?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-1,2-thiazol-5-amine is Nc1cc(Cc2ccc(Cl)cc2)ns1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-1,2-thiazol-5-amine?
The InChIKey is YHGXNLYDEDLMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2S/c11-8-3-1-7(2-4-8)5-9-6-10(12)14-13-9/h1-4,6H,5,12H2.
What are the key properties of 3-[(4-chlorophenyl)methyl]-1,2-thiazol-5-amine?
3-[(4-chlorophenyl)methyl]-1,2-thiazol-5-amine has a molecular weight of 224.72 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-1,2-thiazol-5-amine is sourced from PubChem (CID 131260397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).