N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine

C17H24N2S — CID 60982900

IUPACN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
SMILESCCc1ncc(CNC(C)c2ccc(C(C)C)cc2)s1
InChIInChI=1S/C17H24N2S/c1-5-17-19-11-16(20-17)10-18-13(4)15-8-6-14(7-9-15)12(2)3/h6-9,11-13,18H,5,10H2,1-4H3
InChIKeyVINIMLUMHILZOY-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.68
Rot. Bonds6

About N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 60982900) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID60982900
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
SMILESCCc1ncc(CNC(C)c2ccc(C(C)C)cc2)s1
InChIInChI=1S/C17H24N2S/c1-5-17-19-11-16(20-17)10-18-13(4)15-8-6-14(7-9-15)12(2)3/h6-9,11-13,18H,5,10H2,1-4H3
InChIKeyVINIMLUMHILZOY-UHFFFAOYSA-N
XLogP4.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Phenyl-1,3-thiazol-5-yl)methanamine
CID 595758
N-methyl-N-[(4-methylphenyl)methyl]-1-[(2-methylsulfanyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
CID 118190306
(2-Phenyl-1,3-thiazol-5-yl)methanamine hydrochloride
CID 2932203
(5-Phenyl-1,3-thiazol-2-yl)methanamine
CID 595757
N-Methyl-4-(1,3-thiazol-2-yl)benzylamine
CID 18525747
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine
CID 118190177
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 118190180
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]piperidin-4-amine
CID 118190302
N-methyl-N-[(2-methylphenyl)methyl]-1-[(2-methylsulfanyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
CID 118190502
1-[1-[4-(1,3-Thiazol-2-yl)phenyl]cyclohexyl]ethanamine
CID 68678292
Benzyl[(1,3-thiazol-5-yl)methyl]amine
CID 21710584
(R)-1-phenyl-N-((2-phenyl-1,3-thiazol-5-yl)methyl)ethanamine
CID 44542480

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine (CID 60982900) is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine is CCc1ncc(CNC(C)c2ccc(C(C)C)cc2)s1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is VINIMLUMHILZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-5-17-19-11-16(20-17)10-18-13(4)15-8-6-14(7-9-15)12(2)3/h6-9,11-13,18H,5,10H2,1-4H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine?
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 288.46 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 60982900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).