N,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-2-amine

C11H20N2S — CID 79824583

IUPACN,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-2-amine
SMILESCNC(CCC(C)C)Cc1nccs1
InChIInChI=1S/C11H20N2S/c1-9(2)4-5-10(12-3)8-11-13-6-7-14-11/h6-7,9-10,12H,4-5,8H2,1-3H3
InChIKeyPQPSCFVSDDREMT-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.71
Rot. Bonds6

About N,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-2-amine

N,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-2-amine (PubChem CID 79824583) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-2-amine.

Molecular Properties

Compound NameN,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-2-amine
PubChem CID79824583
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-2-amine
SMILESCNC(CCC(C)C)Cc1nccs1
InChIInChI=1S/C11H20N2S/c1-9(2)4-5-10(12-3)8-11-13-6-7-14-11/h6-7,9-10,12H,4-5,8H2,1-3H3
InChIKeyPQPSCFVSDDREMT-UHFFFAOYSA-N
XLogP2.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1,3-thiazol-2-yl)heptan-2-amine
CID 105015264
2-(methylamino)-3-(1,3-thiazol-2-yl)propane-1-thiol
CID 20699494
N-methyl-4-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)butan-2-amine
CID 105014941
1-(4-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824027
1-(3-bromothiophen-2-yl)-N,5-dimethylhexan-2-amine
CID 62603747
N-methyl-1-(thian-4-yl)-3-(1,3-thiazol-2-yl)propan-2-amine
CID 105169149
N-ethyl-5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-amine
CID 105169125
N-methyl-1-phenylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824156
N,6-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine
CID 83161569
[3-methyl-1-(1,3-thiazol-2-yl)butan-2-yl]hydrazine
CID 105199664
1-(1,3-thiazol-2-yl)propane-2-thiol
CID 57089888
1-(2,4-dichlorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824685

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-2-amine?
The IUPAC name of N,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-2-amine (CID 79824583) is N,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-2-amine.
What is the SMILES notation for N,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-2-amine?
The canonical SMILES for N,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-2-amine is CNC(CCC(C)C)Cc1nccs1.
What is the InChIKey of N,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-2-amine?
The InChIKey is PQPSCFVSDDREMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-9(2)4-5-10(12-3)8-11-13-6-7-14-11/h6-7,9-10,12H,4-5,8H2,1-3H3.
What are the key properties of N,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-2-amine?
N,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-2-amine has a molecular weight of 212.36 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-2-amine is sourced from PubChem (CID 79824583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).