5-methyl-N-(1,3-thiazol-4-ylmethyl)hexan-1-amine

C11H20N2S — CID 79002634

IUPAC5-methyl-N-(1,3-thiazol-4-ylmethyl)hexan-1-amine
SMILESCC(C)CCCCNCc1cscn1
InChIInChI=1S/C11H20N2S/c1-10(2)5-3-4-6-12-7-11-8-14-9-13-11/h8-10,12H,3-7H2,1-2H3
InChIKeyMUNSQAMZPZPICR-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.06
Rot. Bonds7

About 5-methyl-N-(1,3-thiazol-4-ylmethyl)hexan-1-amine

5-methyl-N-(1,3-thiazol-4-ylmethyl)hexan-1-amine (PubChem CID 79002634) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 5-methyl-N-(1,3-thiazol-4-ylmethyl)hexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-(1,3-thiazol-4-ylmethyl)hexan-1-amine
PubChem CID79002634
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name5-methyl-N-(1,3-thiazol-4-ylmethyl)hexan-1-amine
SMILESCC(C)CCCCNCc1cscn1
InChIInChI=1S/C11H20N2S/c1-10(2)5-3-4-6-12-7-11-8-14-9-13-11/h8-10,12H,3-7H2,1-2H3
InChIKeyMUNSQAMZPZPICR-UHFFFAOYSA-N
XLogP3.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-thiazol-4-ylmethylamino)butan-1-ol
CID 106841033
3-fluoro-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 115732906
4-(2-methoxyethoxy)-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 115600125
3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 115639498
1-methyl-3-[2-(1,3-thiazol-4-ylmethylamino)ethyl]thiourea
CID 20557651
1-[4-(3-methylbutoxy)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 62196983
5-methyl-3-[(1,3-thiazol-4-ylmethylamino)methyl]hexan-1-ol
CID 111498615
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
3-cyclohexyloxy-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 60696926
7-methyl-N-[(2-methylpyrimidin-4-yl)methyl]octan-1-amine
CID 62747506
N'-methyl-N-(3-methylbutyl)-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 62554167
N-(1,3-thiazol-4-ylmethyl)-3-thiophen-2-ylpropan-1-amine
CID 115883663

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1,3-thiazol-4-ylmethyl)hexan-1-amine?
The IUPAC name of 5-methyl-N-(1,3-thiazol-4-ylmethyl)hexan-1-amine (CID 79002634) is 5-methyl-N-(1,3-thiazol-4-ylmethyl)hexan-1-amine.
What is the SMILES notation for 5-methyl-N-(1,3-thiazol-4-ylmethyl)hexan-1-amine?
The canonical SMILES for 5-methyl-N-(1,3-thiazol-4-ylmethyl)hexan-1-amine is CC(C)CCCCNCc1cscn1.
What is the InChIKey of 5-methyl-N-(1,3-thiazol-4-ylmethyl)hexan-1-amine?
The InChIKey is MUNSQAMZPZPICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-10(2)5-3-4-6-12-7-11-8-14-9-13-11/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 5-methyl-N-(1,3-thiazol-4-ylmethyl)hexan-1-amine?
5-methyl-N-(1,3-thiazol-4-ylmethyl)hexan-1-amine has a molecular weight of 212.36 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1,3-thiazol-4-ylmethyl)hexan-1-amine is sourced from PubChem (CID 79002634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).