3-(4-ethylphenyl)-2-(1,3-thiazol-2-yl)propan-1-amine

C14H18N2S — CID 83977512

IUPAC3-(4-ethylphenyl)-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCCc1ccc(CC(CN)c2nccs2)cc1
InChIInChI=1S/C14H18N2S/c1-2-11-3-5-12(6-4-11)9-13(10-15)14-16-7-8-17-14/h3-8,13H,2,9-10,15H2,1H3
InChIKeyRPABXVDENPBSKM-UHFFFAOYSA-N
MW246.38 g/mol
LogP2.99
Rot. Bonds5

About 3-(4-ethylphenyl)-2-(1,3-thiazol-2-yl)propan-1-amine

3-(4-ethylphenyl)-2-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 83977512) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-2-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-ethylphenyl)-2-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID83977512
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name3-(4-ethylphenyl)-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCCc1ccc(CC(CN)c2nccs2)cc1
InChIInChI=1S/C14H18N2S/c1-2-11-3-5-12(6-4-11)9-13(10-15)14-16-7-8-17-14/h3-8,13H,2,9-10,15H2,1H3
InChIKeyRPABXVDENPBSKM-UHFFFAOYSA-N
XLogP2.99
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-2-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of 3-(4-ethylphenyl)-2-(1,3-thiazol-2-yl)propan-1-amine (CID 83977512) is 3-(4-ethylphenyl)-2-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(4-ethylphenyl)-2-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(4-ethylphenyl)-2-(1,3-thiazol-2-yl)propan-1-amine is CCc1ccc(CC(CN)c2nccs2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-2-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is RPABXVDENPBSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-2-11-3-5-12(6-4-11)9-13(10-15)14-16-7-8-17-14/h3-8,13H,2,9-10,15H2,1H3.
What are the key properties of 3-(4-ethylphenyl)-2-(1,3-thiazol-2-yl)propan-1-amine?
3-(4-ethylphenyl)-2-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 246.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-2-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 83977512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).