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

C12H14N2S — CID 874716

IUPAC4-(4-propylphenyl)-1,3-thiazol-2-amine
SMILESCCCc1ccc(-c2csc(N)n2)cc1
InChIInChI=1S/C12H14N2S/c1-2-3-9-4-6-10(7-5-9)11-8-15-12(13)14-11/h4-8H,2-3H2,1H3,(H2,13,14)
InChIKeyMWWKFIPFFAXPGN-UHFFFAOYSA-N
MW218.32 g/mol
LogP3.34
Rot. Bonds3

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

4-(4-propylphenyl)-1,3-thiazol-2-amine (PubChem CID 874716) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 4-(4-propylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-propylphenyl)-1,3-thiazol-2-amine
PubChem CID874716
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name4-(4-propylphenyl)-1,3-thiazol-2-amine
SMILESCCCc1ccc(-c2csc(N)n2)cc1
InChIInChI=1S/C12H14N2S/c1-2-3-9-4-6-10(7-5-9)11-8-15-12(13)14-11/h4-8H,2-3H2,1H3,(H2,13,14)
InChIKeyMWWKFIPFFAXPGN-UHFFFAOYSA-N
XLogP3.34
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-propylphenyl)-1,3-thiazol-2-amine (CID 874716) is 4-(4-propylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-propylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-propylphenyl)-1,3-thiazol-2-amine is CCCc1ccc(-c2csc(N)n2)cc1.
What is the InChIKey of 4-(4-propylphenyl)-1,3-thiazol-2-amine?
The InChIKey is MWWKFIPFFAXPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-2-3-9-4-6-10(7-5-9)11-8-15-12(13)14-11/h4-8H,2-3H2,1H3,(H2,13,14).
What are the key properties of 4-(4-propylphenyl)-1,3-thiazol-2-amine?
4-(4-propylphenyl)-1,3-thiazol-2-amine has a molecular weight of 218.32 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 874716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).