4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-amine

C13H16N2S — CID 799204

IUPAC4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-amine
SMILESCCCc1sc(N)nc1-c1ccc(C)cc1
InChIInChI=1S/C13H16N2S/c1-3-4-11-12(15-13(14)16-11)10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3,(H2,14,15)
InChIKeyBFIWRBLVPZXIAN-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.65
Rot. Bonds3

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

4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-amine (PubChem CID 799204) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-amine
PubChem CID799204
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-amine
SMILESCCCc1sc(N)nc1-c1ccc(C)cc1
InChIInChI=1S/C13H16N2S/c1-3-4-11-12(15-13(14)16-11)10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3,(H2,14,15)
InChIKeyBFIWRBLVPZXIAN-UHFFFAOYSA-N
XLogP3.65
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-amine (CID 799204) is 4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-amine is CCCc1sc(N)nc1-c1ccc(C)cc1.
What is the InChIKey of 4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-amine?
The InChIKey is BFIWRBLVPZXIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-3-4-11-12(15-13(14)16-11)10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3,(H2,14,15).
What are the key properties of 4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-amine?
4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-amine has a molecular weight of 232.35 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 799204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).