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

C14H20N2S2 — CID 105159077

IUPACN-methyl-1-(2-methyl-1,3-thiazol-4-yl)-5-thiophen-2-ylpentan-2-amine
SMILESCNC(CCCc1cccs1)Cc1csc(C)n1
InChIInChI=1S/C14H20N2S2/c1-11-16-13(10-18-11)9-12(15-2)5-3-6-14-7-4-8-17-14/h4,7-8,10,12,15H,3,5-6,9H2,1-2H3
InChIKeyIPAQTVGYRKPOSZ-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.67
Rot. Bonds7

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

N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-5-thiophen-2-ylpentan-2-amine (PubChem CID 105159077) has the molecular formula C14H20N2S2 and a molecular weight of 280.46 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-5-thiophen-2-ylpentan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-1,3-thiazol-4-yl)-5-thiophen-2-ylpentan-2-amine
PubChem CID105159077
Molecular FormulaC14H20N2S2
Molecular Weight280.46 g/mol
Exact Mass280.11
IUPAC NameN-methyl-1-(2-methyl-1,3-thiazol-4-yl)-5-thiophen-2-ylpentan-2-amine
SMILESCNC(CCCc1cccs1)Cc1csc(C)n1
InChIInChI=1S/C14H20N2S2/c1-11-16-13(10-18-11)9-12(15-2)5-3-6-14-7-4-8-17-14/h4,7-8,10,12,15H,3,5-6,9H2,1-2H3
InChIKeyIPAQTVGYRKPOSZ-UHFFFAOYSA-N
XLogP3.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(5-methyl-2-pyridinyl)-5-thiophen-2-ylpentan-2-amine
CID 66447519
N,6-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)heptan-2-amine
CID 83162096
N-methyl-4-(2-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 105159025
N-methyl-1-(2-methylphenyl)-5-thiophen-2-ylpentan-2-amine
CID 61065069
1-(3,4-dichlorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine
CID 63527812
N-methyl-1-phenyl-6-thiophen-2-ylhexan-3-amine
CID 105094221
N-methyl-1-methylsulfonyl-7-thiophen-2-ylheptan-4-amine
CID 105113307
1-(2-fluoro-3-methoxyphenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine
CID 105180648
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432807
1-cyclopropyl-N-methyl-6-thiophen-2-ylhexan-3-amine
CID 105157838
1-(2-chloro-3-fluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine
CID 105178932
N-methyl-6-phenyl-1-thiophen-2-ylhexan-3-amine
CID 105150151

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-5-thiophen-2-ylpentan-2-amine?
The IUPAC name of N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-5-thiophen-2-ylpentan-2-amine (CID 105159077) is N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-5-thiophen-2-ylpentan-2-amine.
What is the SMILES notation for N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-5-thiophen-2-ylpentan-2-amine?
The canonical SMILES for N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-5-thiophen-2-ylpentan-2-amine is CNC(CCCc1cccs1)Cc1csc(C)n1.
What is the InChIKey of N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-5-thiophen-2-ylpentan-2-amine?
The InChIKey is IPAQTVGYRKPOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S2/c1-11-16-13(10-18-11)9-12(15-2)5-3-6-14-7-4-8-17-14/h4,7-8,10,12,15H,3,5-6,9H2,1-2H3.
What are the key properties of N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-5-thiophen-2-ylpentan-2-amine?
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-5-thiophen-2-ylpentan-2-amine has a molecular weight of 280.46 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-5-thiophen-2-ylpentan-2-amine is sourced from PubChem (CID 105159077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).