N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexan-2-amine

C11H20N2S — CID 61281607

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1cnc(C)s1
InChIInChI=1S/C11H20N2S/c1-4-5-6-9(2)12-7-11-8-13-10(3)14-11/h8-9,12H,4-7H2,1-3H3
InChIKeySKEDJEUYPYIRBX-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.12
Rot. Bonds6

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexan-2-amine

N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexan-2-amine (PubChem CID 61281607) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexan-2-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]hexan-2-amine
PubChem CID61281607
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1cnc(C)s1
InChIInChI=1S/C11H20N2S/c1-4-5-6-9(2)12-7-11-8-13-10(3)14-11/h8-9,12H,4-7H2,1-3H3
InChIKeySKEDJEUYPYIRBX-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methyl-1,3-thiazol-5-yl)methylamino]hexanoic acid
CID 103243285
N-[(5-methyl-1,3-oxazol-2-yl)methyl]hexan-2-amine
CID 103096842
5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]heptan-3-amine
CID 61282170
N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanimidamide
CID 77031370
N-[(5-methylpyrazin-2-yl)methyl]hexan-2-amine
CID 62847900
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61224120
N-(pyrimidin-2-ylmethyl)hexan-2-amine
CID 62700861
1-(1-methylcyclopropyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 61282955
1-N,1-N-diethyl-4-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pentane-1,4-diamine
CID 54883558
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pentan-2-amine
CID 115698852
(1R)-1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81379629
5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]hexanoic acid
CID 82848419

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexan-2-amine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexan-2-amine (CID 61281607) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexan-2-amine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexan-2-amine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexan-2-amine is CCCCC(C)NCc1cnc(C)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexan-2-amine?
The InChIKey is SKEDJEUYPYIRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-4-5-6-9(2)12-7-11-8-13-10(3)14-11/h8-9,12H,4-7H2,1-3H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexan-2-amine?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexan-2-amine has a molecular weight of 212.36 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexan-2-amine is sourced from PubChem (CID 61281607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).