N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-5-phenylpentan-2-amine

C16H22N2S — CID 62795679

IUPACN-methyl-1-(4-methyl-1,3-thiazol-2-yl)-5-phenylpentan-2-amine
SMILESCNC(CCCc1ccccc1)Cc1nc(C)cs1
InChIInChI=1S/C16H22N2S/c1-13-12-19-16(18-13)11-15(17-2)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,12,15,17H,6,9-11H2,1-2H3
InChIKeyWXMGGLKBQREJIK-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.60
Rot. Bonds7

About N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-5-phenylpentan-2-amine

N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-5-phenylpentan-2-amine (PubChem CID 62795679) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-5-phenylpentan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-1,3-thiazol-2-yl)-5-phenylpentan-2-amine
PubChem CID62795679
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-methyl-1-(4-methyl-1,3-thiazol-2-yl)-5-phenylpentan-2-amine
SMILESCNC(CCCc1ccccc1)Cc1nc(C)cs1
InChIInChI=1S/C16H22N2S/c1-13-12-19-16(18-13)11-15(17-2)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,12,15,17H,6,9-11H2,1-2H3
InChIKeyWXMGGLKBQREJIK-UHFFFAOYSA-N
XLogP3.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,6-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine
CID 83161569
4-methoxy-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 78917521
1-(3-fluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 62794811
2-benzyl-4-methyl-1,3-thiazole;ethane
CID 91344843
N-methyl-5-phenyl-1-pyridin-3-ylpentan-2-amine
CID 62604554
1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-phenylbutane-1,2-diamine
CID 114929723
1-(3,4-difluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 82923060
1-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutane-1,2-diamine
CID 114929622
N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79819889
N-methyl-6-phenyl-1-thiophen-2-ylhexan-3-amine
CID 105150151
2-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutanamide
CID 114927077
3-(4-methyl-1,3-thiazol-2-yl)-N-(3-phenylpropyl)propanamide
CID 110388471

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-5-phenylpentan-2-amine?
The IUPAC name of N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-5-phenylpentan-2-amine (CID 62795679) is N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-5-phenylpentan-2-amine.
What is the SMILES notation for N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-5-phenylpentan-2-amine?
The canonical SMILES for N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-5-phenylpentan-2-amine is CNC(CCCc1ccccc1)Cc1nc(C)cs1.
What is the InChIKey of N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-5-phenylpentan-2-amine?
The InChIKey is WXMGGLKBQREJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-13-12-19-16(18-13)11-15(17-2)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,12,15,17H,6,9-11H2,1-2H3.
What are the key properties of N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-5-phenylpentan-2-amine?
N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-5-phenylpentan-2-amine has a molecular weight of 274.43 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-5-phenylpentan-2-amine is sourced from PubChem (CID 62795679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).