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

C15H18N2S — CID 79976896

IUPACN-[[2-(2-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1csc(-c2ccccc2C2CC2)n1
InChIInChI=1S/C15H18N2S/c1-2-16-9-12-10-18-15(17-12)14-6-4-3-5-13(14)11-7-8-11/h3-6,10-11,16H,2,7-9H2,1H3
InChIKeyXXPWPCYUNAYARK-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.80
Rot. Bonds5

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

N-[[2-(2-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine (PubChem CID 79976896) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-[[2-(2-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
PubChem CID79976896
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC NameN-[[2-(2-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1csc(-c2ccccc2C2CC2)n1
InChIInChI=1S/C15H18N2S/c1-2-16-9-12-10-18-15(17-12)14-6-4-3-5-13(14)11-7-8-11/h3-6,10-11,16H,2,7-9H2,1H3
InChIKeyXXPWPCYUNAYARK-UHFFFAOYSA-N
XLogP3.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine (CID 79976896) is N-[[2-(2-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine is CCNCc1csc(-c2ccccc2C2CC2)n1.
What is the InChIKey of N-[[2-(2-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine?
The InChIKey is XXPWPCYUNAYARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-2-16-9-12-10-18-15(17-12)14-6-4-3-5-13(14)11-7-8-11/h3-6,10-11,16H,2,7-9H2,1H3.
What are the key properties of N-[[2-(2-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine?
N-[[2-(2-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine has a molecular weight of 258.39 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 79976896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).