5-(3-methylphenyl)-N-propyl-1,3-thiazol-2-amine

C13H16N2S — CID 116812125

IUPAC5-(3-methylphenyl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(-c2cccc(C)c2)s1
InChIInChI=1S/C13H16N2S/c1-3-7-14-13-15-9-12(16-13)11-6-4-5-10(2)8-11/h4-6,8-9H,3,7H2,1-2H3,(H,14,15)
InChIKeyBUYPXYOJKHYSFY-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.94
Rot. Bonds4

About 5-(3-methylphenyl)-N-propyl-1,3-thiazol-2-amine

5-(3-methylphenyl)-N-propyl-1,3-thiazol-2-amine (PubChem CID 116812125) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 5-(3-methylphenyl)-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(3-methylphenyl)-N-propyl-1,3-thiazol-2-amine
PubChem CID116812125
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name5-(3-methylphenyl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(-c2cccc(C)c2)s1
InChIInChI=1S/C13H16N2S/c1-3-7-14-13-15-9-12(16-13)11-6-4-5-10(2)8-11/h4-6,8-9H,3,7H2,1-2H3,(H,14,15)
InChIKeyBUYPXYOJKHYSFY-UHFFFAOYSA-N
XLogP3.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(3-methylphenyl)-N-propyl-1,3-thiazol-2-amine (CID 116812125) is 5-(3-methylphenyl)-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(3-methylphenyl)-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(3-methylphenyl)-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(-c2cccc(C)c2)s1.
What is the InChIKey of 5-(3-methylphenyl)-N-propyl-1,3-thiazol-2-amine?
The InChIKey is BUYPXYOJKHYSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-3-7-14-13-15-9-12(16-13)11-6-4-5-10(2)8-11/h4-6,8-9H,3,7H2,1-2H3,(H,14,15).
What are the key properties of 5-(3-methylphenyl)-N-propyl-1,3-thiazol-2-amine?
5-(3-methylphenyl)-N-propyl-1,3-thiazol-2-amine has a molecular weight of 232.35 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 116812125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).