5-(4-cyclopropylphenyl)-1,3-thiazol-2-amine

C12H12N2S — CID 116811772

IUPAC5-(4-cyclopropylphenyl)-1,3-thiazol-2-amine
SMILESNc1ncc(-c2ccc(C3CC3)cc2)s1
InChIInChI=1S/C12H12N2S/c13-12-14-7-11(15-12)10-5-3-9(4-6-10)8-1-2-8/h3-8H,1-2H2,(H2,13,14)
InChIKeyZHKYWPRWBXHWER-UHFFFAOYSA-N
MW216.31 g/mol
LogP3.27
Rot. Bonds2

About 5-(4-cyclopropylphenyl)-1,3-thiazol-2-amine

5-(4-cyclopropylphenyl)-1,3-thiazol-2-amine (PubChem CID 116811772) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 5-(4-cyclopropylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-cyclopropylphenyl)-1,3-thiazol-2-amine
PubChem CID116811772
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC Name5-(4-cyclopropylphenyl)-1,3-thiazol-2-amine
SMILESNc1ncc(-c2ccc(C3CC3)cc2)s1
InChIInChI=1S/C12H12N2S/c13-12-14-7-11(15-12)10-5-3-9(4-6-10)8-1-2-8/h3-8H,1-2H2,(H2,13,14)
InChIKeyZHKYWPRWBXHWER-UHFFFAOYSA-N
XLogP3.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-cyclopropylphenyl)-1,3-thiazol-2-amine (CID 116811772) is 5-(4-cyclopropylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-cyclopropylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-cyclopropylphenyl)-1,3-thiazol-2-amine is Nc1ncc(-c2ccc(C3CC3)cc2)s1.
What is the InChIKey of 5-(4-cyclopropylphenyl)-1,3-thiazol-2-amine?
The InChIKey is ZHKYWPRWBXHWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S/c13-12-14-7-11(15-12)10-5-3-9(4-6-10)8-1-2-8/h3-8H,1-2H2,(H2,13,14).
What are the key properties of 5-(4-cyclopropylphenyl)-1,3-thiazol-2-amine?
5-(4-cyclopropylphenyl)-1,3-thiazol-2-amine has a molecular weight of 216.31 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 116811772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).