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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Related Compounds

1-N,1-N,3-N-trimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butane-1,3-diamine
CID 115346382
4-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 79820048
5-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine
CID 105164412
1-N,1-N,2-N-trimethyl-3-(4-phenyl-1,3-thiazol-2-yl)propane-1,2-diamine
CID 79818156
N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-2-amine
CID 79825369
[3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-yl]hydrazine
CID 105320685
N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 105164397
3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine
CID 105006692
4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 79825345
1,1-difluoro-N-methyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 103516844
N-ethyl-4-methylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 105164419
N,4-dimethyl-5-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79817421

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).