N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propylaniline

C15H20N2S — CID 43670202

IUPACN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propylaniline
SMILESCCCc1ccc(NC(C)c2csc(C)n2)cc1
InChIInChI=1S/C15H20N2S/c1-4-5-13-6-8-14(9-7-13)16-11(2)15-10-18-12(3)17-15/h6-11,16H,4-5H2,1-3H3
InChIKeyKYZBBFQBVIKNAN-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.58
Rot. Bonds5

About N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propylaniline

N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propylaniline (PubChem CID 43670202) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propylaniline.

Molecular Properties

Compound NameN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propylaniline
PubChem CID43670202
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propylaniline
SMILESCCCc1ccc(NC(C)c2csc(C)n2)cc1
InChIInChI=1S/C15H20N2S/c1-4-5-13-6-8-14(9-7-13)16-11(2)15-10-18-12(3)17-15/h6-11,16H,4-5H2,1-3H3
InChIKeyKYZBBFQBVIKNAN-UHFFFAOYSA-N
XLogP4.58
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 ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N,4-N-dimethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine
CID 43670343
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-phenylaniline
CID 43716894
3,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670072
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-3-amine
CID 66351418
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalen-2-amine
CID 43680346
3-fluoro-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670116
1-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54944257
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine
CID 43670043
4-methyl-N-[1-(4-propylphenyl)ethyl]aniline
CID 43111793
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-5-amine
CID 107588200
N-[4-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]phenyl]cyclopropanecarboxamide
CID 51885246
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-5-amine
CID 43670073

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propylaniline?
The IUPAC name of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propylaniline (CID 43670202) is N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propylaniline.
What is the SMILES notation for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propylaniline?
The canonical SMILES for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propylaniline is CCCc1ccc(NC(C)c2csc(C)n2)cc1.
What is the InChIKey of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propylaniline?
The InChIKey is KYZBBFQBVIKNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-4-5-13-6-8-14(9-7-13)16-11(2)15-10-18-12(3)17-15/h6-11,16H,4-5H2,1-3H3.
What are the key properties of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propylaniline?
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propylaniline has a molecular weight of 260.41 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propylaniline is sourced from PubChem (CID 43670202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).