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

C11H12N2S — CID 733908

IUPAC4-(4-ethylphenyl)-1,3-thiazol-2-amine
SMILESCCc1ccc(-c2csc(N)n2)cc1
InChIInChI=1S/C11H12N2S/c1-2-8-3-5-9(6-4-8)10-7-14-11(12)13-10/h3-7H,2H2,1H3,(H2,12,13)
InChIKeyYDFOGNLELPWXHU-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.95
Rot. Bonds2

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

4-(4-ethylphenyl)-1,3-thiazol-2-amine (PubChem CID 733908) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-ethylphenyl)-1,3-thiazol-2-amine
PubChem CID733908
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name4-(4-ethylphenyl)-1,3-thiazol-2-amine
SMILESCCc1ccc(-c2csc(N)n2)cc1
InChIInChI=1S/C11H12N2S/c1-2-8-3-5-9(6-4-8)10-7-14-11(12)13-10/h3-7H,2H2,1H3,(H2,12,13)
InChIKeyYDFOGNLELPWXHU-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-(4-ethylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-ethylphenyl)-1,3-thiazol-2-amine (CID 733908) is 4-(4-ethylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-ethylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-ethylphenyl)-1,3-thiazol-2-amine is CCc1ccc(-c2csc(N)n2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-1,3-thiazol-2-amine?
The InChIKey is YDFOGNLELPWXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-2-8-3-5-9(6-4-8)10-7-14-11(12)13-10/h3-7H,2H2,1H3,(H2,12,13).
What are the key properties of 4-(4-ethylphenyl)-1,3-thiazol-2-amine?
4-(4-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-(4-ethylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 733908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).