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

C12H22N2S — CID 62528685

IUPAC2-methyl-4-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine
SMILESCCCNCC(C)CCc1scnc1C
InChIInChI=1S/C12H22N2S/c1-4-7-13-8-10(2)5-6-12-11(3)14-9-15-12/h9-10,13H,4-8H2,1-3H3
InChIKeyLDYQXCZSDKREAJ-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.02
Rot. Bonds7

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

2-methyl-4-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine (PubChem CID 62528685) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 2-methyl-4-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-methyl-4-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine
PubChem CID62528685
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name2-methyl-4-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine
SMILESCCCNCC(C)CCc1scnc1C
InChIInChI=1S/C12H22N2S/c1-4-7-13-8-10(2)5-6-12-11(3)14-9-15-12/h9-10,13H,4-8H2,1-3H3
InChIKeyLDYQXCZSDKREAJ-UHFFFAOYSA-N
XLogP3.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.02
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

N-tert-butyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62531100
2-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol
CID 65035743
N-[2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butyl]cyclobutanamine
CID 114899207
3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol
CID 66091745
2-methyl-5-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentan-1-ol
CID 106160337
2-ethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hexan-1-amine
CID 114004588
N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylethane-1,2-diamine
CID 63283757
3,3-dimethyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine
CID 83139639
3-methyl-5-(4-methyl-1,3-thiazol-5-yl)pentan-2-ol
CID 79424726
5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpentan-1-amine
CID 55077695
2-methyl-4-(4-methylphenyl)-N-propylbutan-1-amine
CID 64664775
3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propane-1,2-diol
CID 66168458

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine?
The IUPAC name of 2-methyl-4-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine (CID 62528685) is 2-methyl-4-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 2-methyl-4-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine?
The canonical SMILES for 2-methyl-4-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine is CCCNCC(C)CCc1scnc1C.
What is the InChIKey of 2-methyl-4-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine?
The InChIKey is LDYQXCZSDKREAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-4-7-13-8-10(2)5-6-12-11(3)14-9-15-12/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 2-methyl-4-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine?
2-methyl-4-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine has a molecular weight of 226.39 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 62528685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).