2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine

C15H20N2S — CID 55102196

IUPAC2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
SMILESCCc1ccc(-c2nc(C(C)CN)sc2C)cc1
InChIInChI=1S/C15H20N2S/c1-4-12-5-7-13(8-6-12)14-11(3)18-15(17-14)10(2)9-16/h5-8,10H,4,9,16H2,1-3H3
InChIKeyIUXDSIVCRNHMAC-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.74
Rot. Bonds4

About 2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine

2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine (PubChem CID 55102196) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
PubChem CID55102196
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
SMILESCCc1ccc(-c2nc(C(C)CN)sc2C)cc1
InChIInChI=1S/C15H20N2S/c1-4-12-5-7-13(8-6-12)14-11(3)18-15(17-14)10(2)9-16/h5-8,10H,4,9,16H2,1-3H3
InChIKeyIUXDSIVCRNHMAC-UHFFFAOYSA-N
XLogP3.74
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine?
The IUPAC name of 2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine (CID 55102196) is 2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine.
What is the SMILES notation for 2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine?
The canonical SMILES for 2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine is CCc1ccc(-c2nc(C(C)CN)sc2C)cc1.
What is the InChIKey of 2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine?
The InChIKey is IUXDSIVCRNHMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-4-12-5-7-13(8-6-12)14-11(3)18-15(17-14)10(2)9-16/h5-8,10H,4,9,16H2,1-3H3.
What are the key properties of 2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine?
2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine has a molecular weight of 260.41 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine is sourced from PubChem (CID 55102196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).