2-methyl-4-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-2-amine

C15H20N2S — CID 115732424

IUPAC2-methyl-4-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-2-amine
SMILESCC(C)(CCc1ccccc1)NCc1cncs1
InChIInChI=1S/C15H20N2S/c1-15(2,17-11-14-10-16-12-18-14)9-8-13-6-4-3-5-7-13/h3-7,10,12,17H,8-9,11H2,1-2H3
InChIKeyZVKCAONRAYSINR-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.64
Rot. Bonds6

About 2-methyl-4-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-2-amine

2-methyl-4-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-2-amine (PubChem CID 115732424) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 2-methyl-4-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name2-methyl-4-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-2-amine
PubChem CID115732424
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name2-methyl-4-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-2-amine
SMILESCC(C)(CCc1ccccc1)NCc1cncs1
InChIInChI=1S/C15H20N2S/c1-15(2,17-11-14-10-16-12-18-14)9-8-13-6-4-3-5-7-13/h3-7,10,12,17H,8-9,11H2,1-2H3
InChIKeyZVKCAONRAYSINR-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 115682655
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 115621711
2-methyl-4-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine
CID 115690821
2-methyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112641801
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-4-phenylbutan-2-amine
CID 115690864
N-(2-methyl-4-phenylbutan-2-yl)-1,3,4-thiadiazol-2-amine
CID 113472531
3-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]phenol
CID 115621741
3-methyl-3-(1,3-thiazol-5-ylmethylamino)butanamide
CID 106096039
2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-phenylbutan-2-amine
CID 115690865
2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-phenylbutan-2-amine
CID 115867947
5-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]furan-2-carbonitrile
CID 115653747
4-chloro-2-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]phenol
CID 115621723

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-2-amine?
The IUPAC name of 2-methyl-4-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-2-amine (CID 115732424) is 2-methyl-4-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-2-amine.
What is the SMILES notation for 2-methyl-4-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-2-amine?
The canonical SMILES for 2-methyl-4-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-2-amine is CC(C)(CCc1ccccc1)NCc1cncs1.
What is the InChIKey of 2-methyl-4-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-2-amine?
The InChIKey is ZVKCAONRAYSINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-15(2,17-11-14-10-16-12-18-14)9-8-13-6-4-3-5-7-13/h3-7,10,12,17H,8-9,11H2,1-2H3.
What are the key properties of 2-methyl-4-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-2-amine?
2-methyl-4-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-2-amine has a molecular weight of 260.41 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-2-amine is sourced from PubChem (CID 115732424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).