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

C15H20N2S — CID 115879113

IUPACN-[(4-propan-2-ylphenyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
SMILESCC(C)c1ccc(CNC(C)c2cscn2)cc1
InChIInChI=1S/C15H20N2S/c1-11(2)14-6-4-13(5-7-14)8-16-12(3)15-9-18-10-17-15/h4-7,9-12,16H,8H2,1-3H3
InChIKeyCZIDVFGBTNLNJS-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.12
Rot. Bonds5

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

N-[(4-propan-2-ylphenyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine (PubChem CID 115879113) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-[(4-propan-2-ylphenyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-propan-2-ylphenyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
PubChem CID115879113
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-[(4-propan-2-ylphenyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
SMILESCC(C)c1ccc(CNC(C)c2cscn2)cc1
InChIInChI=1S/C15H20N2S/c1-11(2)14-6-4-13(5-7-14)8-16-12(3)15-9-18-10-17-15/h4-7,9-12,16H,8H2,1-3H3
InChIKeyCZIDVFGBTNLNJS-UHFFFAOYSA-N
XLogP4.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromophenyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879170
N-[(6-methyl-3-pyridinyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879051
N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879315
N-(cyclopenta-1,4-dien-1-ylmethyl)-1-(1,3-thiazol-4-yl)ethanamine
CID 91928159
[2-(4-propan-2-ylphenyl)-1-(1,3-thiazol-4-yl)ethyl]hydrazine
CID 105254254
1-(1,3-thiazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 115878914
1-(1,3-thiazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 115879082
N-[(3-bromothiophen-2-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115889140
N-[(3-methyl-4-pyridinyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 114699058
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879163
N-[[2-(methoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115878963
N-[1-(1,3-thiazol-4-yl)ethyl]-2-thiophen-3-ylpropan-1-amine
CID 115879423

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylphenyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[(4-propan-2-ylphenyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine (CID 115879113) is N-[(4-propan-2-ylphenyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[(4-propan-2-ylphenyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[(4-propan-2-ylphenyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine is CC(C)c1ccc(CNC(C)c2cscn2)cc1.
What is the InChIKey of N-[(4-propan-2-ylphenyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is CZIDVFGBTNLNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-11(2)14-6-4-13(5-7-14)8-16-12(3)15-9-18-10-17-15/h4-7,9-12,16H,8H2,1-3H3.
What are the key properties of N-[(4-propan-2-ylphenyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine?
N-[(4-propan-2-ylphenyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine has a molecular weight of 260.41 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-ylphenyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 115879113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).