1-[2-(3-cyclopropylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine

C17H22N2S — CID 79980269

IUPAC1-[2-(3-cyclopropylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1sc(-c2cccc(C3CC3)c2)nc1C
InChIInChI=1S/C17H22N2S/c1-4-18-11(2)16-12(3)19-17(20-16)15-7-5-6-14(10-15)13-8-9-13/h5-7,10-11,13,18H,4,8-9H2,1-3H3
InChIKeyFVJJQHYNWGVXSL-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.67
Rot. Bonds5

About 1-[2-(3-cyclopropylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine

1-[2-(3-cyclopropylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine (PubChem CID 79980269) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 1-[2-(3-cyclopropylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(3-cyclopropylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine
PubChem CID79980269
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name1-[2-(3-cyclopropylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1sc(-c2cccc(C3CC3)c2)nc1C
InChIInChI=1S/C17H22N2S/c1-4-18-11(2)16-12(3)19-17(20-16)15-7-5-6-14(10-15)13-8-9-13/h5-7,10-11,13,18H,4,8-9H2,1-3H3
InChIKeyFVJJQHYNWGVXSL-UHFFFAOYSA-N
XLogP4.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-cyclopropylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine?
The IUPAC name of 1-[2-(3-cyclopropylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine (CID 79980269) is 1-[2-(3-cyclopropylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(3-cyclopropylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(3-cyclopropylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine is CCNC(C)c1sc(-c2cccc(C3CC3)c2)nc1C.
What is the InChIKey of 1-[2-(3-cyclopropylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine?
The InChIKey is FVJJQHYNWGVXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-4-18-11(2)16-12(3)19-17(20-16)15-7-5-6-14(10-15)13-8-9-13/h5-7,10-11,13,18H,4,8-9H2,1-3H3.
What are the key properties of 1-[2-(3-cyclopropylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine?
1-[2-(3-cyclopropylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine has a molecular weight of 286.44 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-cyclopropylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine is sourced from PubChem (CID 79980269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).