N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine

C15H20N2S — CID 79819889

IUPACN-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
SMILESCCCC(Cc1nc(-c2ccccc2)cs1)NC
InChIInChI=1S/C15H20N2S/c1-3-7-13(16-2)10-15-17-14(11-18-15)12-8-5-4-6-9-12/h4-6,8-9,11,13,16H,3,7,10H2,1-2H3
InChIKeyXTQAZTHEFOXTPI-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.74
Rot. Bonds6

About N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine

N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine (PubChem CID 79819889) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
PubChem CID79819889
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
SMILESCCCC(Cc1nc(-c2ccccc2)cs1)NC
InChIInChI=1S/C15H20N2S/c1-3-7-13(16-2)10-15-17-14(11-18-15)12-8-5-4-6-9-12/h4-6,8-9,11,13,16H,3,7,10H2,1-2H3
InChIKeyXTQAZTHEFOXTPI-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine?
The IUPAC name of N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine (CID 79819889) is N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine.
What is the SMILES notation for N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine?
The canonical SMILES for N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine is CCCC(Cc1nc(-c2ccccc2)cs1)NC.
What is the InChIKey of N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine?
The InChIKey is XTQAZTHEFOXTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-3-7-13(16-2)10-15-17-14(11-18-15)12-8-5-4-6-9-12/h4-6,8-9,11,13,16H,3,7,10H2,1-2H3.
What are the key properties of N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine?
N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine has a molecular weight of 260.41 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine is sourced from PubChem (CID 79819889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).