5-[(3-ethylphenyl)methyl]-1,2-thiazole

C12H13NS — CID 57105084

IUPAC5-[(3-ethylphenyl)methyl]-1,2-thiazole
SMILESCCc1cccc(Cc2ccns2)c1
InChIInChI=1S/C12H13NS/c1-2-10-4-3-5-11(8-10)9-12-6-7-13-14-12/h3-8H,2,9H2,1H3
InChIKeySDUMJWKMYIWKDP-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.30
Rot. Bonds3

About 5-[(3-ethylphenyl)methyl]-1,2-thiazole

5-[(3-ethylphenyl)methyl]-1,2-thiazole (PubChem CID 57105084) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 5-[(3-ethylphenyl)methyl]-1,2-thiazole.

Molecular Properties

Compound Name5-[(3-ethylphenyl)methyl]-1,2-thiazole
PubChem CID57105084
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name5-[(3-ethylphenyl)methyl]-1,2-thiazole
SMILESCCc1cccc(Cc2ccns2)c1
InChIInChI=1S/C12H13NS/c1-2-10-4-3-5-11(8-10)9-12-6-7-13-14-12/h3-8H,2,9H2,1H3
InChIKeySDUMJWKMYIWKDP-UHFFFAOYSA-N
XLogP3.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethylphenyl)methyl]-1,2-thiazole?
The IUPAC name of 5-[(3-ethylphenyl)methyl]-1,2-thiazole (CID 57105084) is 5-[(3-ethylphenyl)methyl]-1,2-thiazole.
What is the SMILES notation for 5-[(3-ethylphenyl)methyl]-1,2-thiazole?
The canonical SMILES for 5-[(3-ethylphenyl)methyl]-1,2-thiazole is CCc1cccc(Cc2ccns2)c1.
What is the InChIKey of 5-[(3-ethylphenyl)methyl]-1,2-thiazole?
The InChIKey is SDUMJWKMYIWKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-2-10-4-3-5-11(8-10)9-12-6-7-13-14-12/h3-8H,2,9H2,1H3.
What are the key properties of 5-[(3-ethylphenyl)methyl]-1,2-thiazole?
5-[(3-ethylphenyl)methyl]-1,2-thiazole has a molecular weight of 203.31 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethylphenyl)methyl]-1,2-thiazole is sourced from PubChem (CID 57105084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).