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

C17H24N2S — CID 61335017

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)-(4-ethylphenyl)methyl]propan-2-amine
SMILESCCc1ccc(C(NC(C)C)c2nc(C)c(C)s2)cc1
InChIInChI=1S/C17H24N2S/c1-6-14-7-9-15(10-8-14)16(18-11(2)3)17-19-12(4)13(5)20-17/h7-11,16,18H,6H2,1-5H3
InChIKeyBARSNNWTWUGJNN-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.41
Rot. Bonds5

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

N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(4-ethylphenyl)methyl]propan-2-amine (PubChem CID 61335017) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(4-ethylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)-(4-ethylphenyl)methyl]propan-2-amine
PubChem CID61335017
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)-(4-ethylphenyl)methyl]propan-2-amine
SMILESCCc1ccc(C(NC(C)C)c2nc(C)c(C)s2)cc1
InChIInChI=1S/C17H24N2S/c1-6-14-7-9-15(10-8-14)16(18-11(2)3)17-19-12(4)13(5)20-17/h7-11,16,18H,6H2,1-5H3
InChIKeyBARSNNWTWUGJNN-UHFFFAOYSA-N
XLogP4.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(4-ethylphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(4-ethylphenyl)methyl]propan-2-amine (CID 61335017) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(4-ethylphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(4-ethylphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(4-ethylphenyl)methyl]propan-2-amine is CCc1ccc(C(NC(C)C)c2nc(C)c(C)s2)cc1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(4-ethylphenyl)methyl]propan-2-amine?
The InChIKey is BARSNNWTWUGJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-6-14-7-9-15(10-8-14)16(18-11(2)3)17-19-12(4)13(5)20-17/h7-11,16,18H,6H2,1-5H3.
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(4-ethylphenyl)methyl]propan-2-amine?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(4-ethylphenyl)methyl]propan-2-amine has a molecular weight of 288.46 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(4-ethylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 61335017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).