N-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

C18H26N2S — CID 82431144

IUPACN-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1nc(CCc2ccccc2)sc1CNCC(C)C
InChIInChI=1S/C18H26N2S/c1-4-16-17(13-19-12-14(2)3)21-18(20-16)11-10-15-8-6-5-7-9-15/h5-9,14,19H,4,10-13H2,1-3H3
InChIKeyHJWXBXCFQCZQJE-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.24
Rot. Bonds8

About N-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

N-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 82431144) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is N-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID82431144
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC NameN-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1nc(CCc2ccccc2)sc1CNCC(C)C
InChIInChI=1S/C18H26N2S/c1-4-16-17(13-19-12-14(2)3)21-18(20-16)11-10-15-8-6-5-7-9-15/h5-9,14,19H,4,10-13H2,1-3H3
InChIKeyHJWXBXCFQCZQJE-UHFFFAOYSA-N
XLogP4.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 82431144) is N-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is CCc1nc(CCc2ccccc2)sc1CNCC(C)C.
What is the InChIKey of N-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is HJWXBXCFQCZQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-4-16-17(13-19-12-14(2)3)21-18(20-16)11-10-15-8-6-5-7-9-15/h5-9,14,19H,4,10-13H2,1-3H3.
What are the key properties of N-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 302.49 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 82431144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).