N-methyl-3-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-1-amine

C12H22N2S — CID 116884752

IUPACN-methyl-3-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCNCCCc1sc(CC(C)C)nc1C
InChIInChI=1S/C12H22N2S/c1-9(2)8-12-14-10(3)11(15-12)6-5-7-13-4/h9,13H,5-8H2,1-4H3
InChIKeyAGVIRIKHVNQOEZ-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.80
Rot. Bonds6

About N-methyl-3-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-1-amine

N-methyl-3-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-1-amine (PubChem CID 116884752) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N-methyl-3-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-1-amine
PubChem CID116884752
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN-methyl-3-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCNCCCc1sc(CC(C)C)nc1C
InChIInChI=1S/C12H22N2S/c1-9(2)8-12-14-10(3)11(15-12)6-5-7-13-4/h9,13H,5-8H2,1-4H3
InChIKeyAGVIRIKHVNQOEZ-UHFFFAOYSA-N
XLogP2.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.80
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-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanethiol
CID 82426539
2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]acetonitrile
CID 82426538
3-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpropan-1-amine
CID 116884759
3-(2-butan-2-yl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine
CID 55230371
N-methyl-2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]butan-1-amine
CID 116887347
1-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82429503
2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82426540
3-[2-(3-bromophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpropan-1-amine
CID 116884770
N-methyl-5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82426550
N-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
CID 116885305
2-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine
CID 116884551
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine
CID 64989566

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-1-amine (CID 116884752) is N-methyl-3-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-1-amine is CNCCCc1sc(CC(C)C)nc1C.
What is the InChIKey of N-methyl-3-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-1-amine?
The InChIKey is AGVIRIKHVNQOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-9(2)8-12-14-10(3)11(15-12)6-5-7-13-4/h9,13H,5-8H2,1-4H3.
What are the key properties of N-methyl-3-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-1-amine?
N-methyl-3-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-1-amine has a molecular weight of 226.39 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-1-amine is sourced from PubChem (CID 116884752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).