4-methyl-N-[1-(1,3-thiazol-2-yl)pentan-2-yl]aniline

C15H20N2S — CID 10923285

IUPAC4-methyl-N-[1-(1,3-thiazol-2-yl)pentan-2-yl]aniline
SMILESCCCC(Cc1nccs1)Nc1ccc(C)cc1
InChIInChI=1S/C15H20N2S/c1-3-4-14(11-15-16-9-10-18-15)17-13-7-5-12(2)6-8-13/h5-10,14,17H,3-4,11H2,1-2H3
InChIKeyMCAAWNKBSDUZBG-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.27
Rot. Bonds6

About 4-methyl-N-[1-(1,3-thiazol-2-yl)pentan-2-yl]aniline

4-methyl-N-[1-(1,3-thiazol-2-yl)pentan-2-yl]aniline (PubChem CID 10923285) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 4-methyl-N-[1-(1,3-thiazol-2-yl)pentan-2-yl]aniline.

Molecular Properties

Compound Name4-methyl-N-[1-(1,3-thiazol-2-yl)pentan-2-yl]aniline
PubChem CID10923285
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name4-methyl-N-[1-(1,3-thiazol-2-yl)pentan-2-yl]aniline
SMILESCCCC(Cc1nccs1)Nc1ccc(C)cc1
InChIInChI=1S/C15H20N2S/c1-3-4-14(11-15-16-9-10-18-15)17-13-7-5-12(2)6-8-13/h5-10,14,17H,3-4,11H2,1-2H3
InChIKeyMCAAWNKBSDUZBG-UHFFFAOYSA-N
XLogP4.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(1,3-thiazol-2-yl)pentan-2-yl]aniline?
The IUPAC name of 4-methyl-N-[1-(1,3-thiazol-2-yl)pentan-2-yl]aniline (CID 10923285) is 4-methyl-N-[1-(1,3-thiazol-2-yl)pentan-2-yl]aniline.
What is the SMILES notation for 4-methyl-N-[1-(1,3-thiazol-2-yl)pentan-2-yl]aniline?
The canonical SMILES for 4-methyl-N-[1-(1,3-thiazol-2-yl)pentan-2-yl]aniline is CCCC(Cc1nccs1)Nc1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[1-(1,3-thiazol-2-yl)pentan-2-yl]aniline?
The InChIKey is MCAAWNKBSDUZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-3-4-14(11-15-16-9-10-18-15)17-13-7-5-12(2)6-8-13/h5-10,14,17H,3-4,11H2,1-2H3.
What are the key properties of 4-methyl-N-[1-(1,3-thiazol-2-yl)pentan-2-yl]aniline?
4-methyl-N-[1-(1,3-thiazol-2-yl)pentan-2-yl]aniline has a molecular weight of 260.41 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(1,3-thiazol-2-yl)pentan-2-yl]aniline is sourced from PubChem (CID 10923285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).