N-methyl-1-(2-methyl-1,3-thiazol-4-yl)hex-4-yn-2-amine

C11H16N2S — CID 62799510

IUPACN-methyl-1-(2-methyl-1,3-thiazol-4-yl)hex-4-yn-2-amine
SMILESCC#CCC(Cc1csc(C)n1)NC
InChIInChI=1S/C11H16N2S/c1-4-5-6-10(12-3)7-11-8-14-9(2)13-11/h8,10,12H,6-7H2,1-3H3
InChIKeyNVWISALLFLXOBZ-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.00
Rot. Bonds4

About N-methyl-1-(2-methyl-1,3-thiazol-4-yl)hex-4-yn-2-amine

N-methyl-1-(2-methyl-1,3-thiazol-4-yl)hex-4-yn-2-amine (PubChem CID 62799510) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-1,3-thiazol-4-yl)hex-4-yn-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-1,3-thiazol-4-yl)hex-4-yn-2-amine
PubChem CID62799510
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC NameN-methyl-1-(2-methyl-1,3-thiazol-4-yl)hex-4-yn-2-amine
SMILESCC#CCC(Cc1csc(C)n1)NC
InChIInChI=1S/C11H16N2S/c1-4-5-6-10(12-3)7-11-8-14-9(2)13-11/h8,10,12H,6-7H2,1-3H3
InChIKeyNVWISALLFLXOBZ-UHFFFAOYSA-N
XLogP2.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N,6-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)heptan-2-amine
CID 83162096
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642975
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(4-propan-2-ylphenyl)propan-2-amine
CID 62799687
1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ylhydrazine
CID 105202230
1-(3,4-dichlorophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62799514
N-methyl-4-(2-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 105159025
1-(4-fluorophenyl)sulfanyl-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 66071610
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-naphthalen-2-ylpropan-2-amine
CID 105159050
1-(1-methoxycyclobutyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 103559485
1-(3-bromophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62798989
1-(2,4-difluorophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62799683
1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 105373853

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-1,3-thiazol-4-yl)hex-4-yn-2-amine?
The IUPAC name of N-methyl-1-(2-methyl-1,3-thiazol-4-yl)hex-4-yn-2-amine (CID 62799510) is N-methyl-1-(2-methyl-1,3-thiazol-4-yl)hex-4-yn-2-amine.
What is the SMILES notation for N-methyl-1-(2-methyl-1,3-thiazol-4-yl)hex-4-yn-2-amine?
The canonical SMILES for N-methyl-1-(2-methyl-1,3-thiazol-4-yl)hex-4-yn-2-amine is CC#CCC(Cc1csc(C)n1)NC.
What is the InChIKey of N-methyl-1-(2-methyl-1,3-thiazol-4-yl)hex-4-yn-2-amine?
The InChIKey is NVWISALLFLXOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-4-5-6-10(12-3)7-11-8-14-9(2)13-11/h8,10,12H,6-7H2,1-3H3.
What are the key properties of N-methyl-1-(2-methyl-1,3-thiazol-4-yl)hex-4-yn-2-amine?
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)hex-4-yn-2-amine has a molecular weight of 208.33 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-1,3-thiazol-4-yl)hex-4-yn-2-amine is sourced from PubChem (CID 62799510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).