4-(2-ethylphenyl)-1,3-thiazol-2-amine

C11H12N2S — CID 112562140

IUPAC4-(2-ethylphenyl)-1,3-thiazol-2-amine
SMILESCCc1ccccc1-c1csc(N)n1
InChIInChI=1S/C11H12N2S/c1-2-8-5-3-4-6-9(8)10-7-14-11(12)13-10/h3-7H,2H2,1H3,(H2,12,13)
InChIKeyVEPMDWQYBYHBHI-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.95
Rot. Bonds2

About 4-(2-ethylphenyl)-1,3-thiazol-2-amine

4-(2-ethylphenyl)-1,3-thiazol-2-amine (PubChem CID 112562140) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 4-(2-ethylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-ethylphenyl)-1,3-thiazol-2-amine
PubChem CID112562140
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name4-(2-ethylphenyl)-1,3-thiazol-2-amine
SMILESCCc1ccccc1-c1csc(N)n1
InChIInChI=1S/C11H12N2S/c1-2-8-5-3-4-6-9(8)10-7-14-11(12)13-10/h3-7H,2H2,1H3,(H2,12,13)
InChIKeyVEPMDWQYBYHBHI-UHFFFAOYSA-N
XLogP2.95
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-ethylphenyl)-1,3-thiazol-2-amine (CID 112562140) is 4-(2-ethylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-ethylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-ethylphenyl)-1,3-thiazol-2-amine is CCc1ccccc1-c1csc(N)n1.
What is the InChIKey of 4-(2-ethylphenyl)-1,3-thiazol-2-amine?
The InChIKey is VEPMDWQYBYHBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-2-8-5-3-4-6-9(8)10-7-14-11(12)13-10/h3-7H,2H2,1H3,(H2,12,13).
What are the key properties of 4-(2-ethylphenyl)-1,3-thiazol-2-amine?
4-(2-ethylphenyl)-1,3-thiazol-2-amine has a molecular weight of 204.30 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 112562140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).