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

C12H20N2S — CID 107925530

IUPACN-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C2CC2(C)C)s1
InChIInChI=1S/C12H20N2S/c1-4-5-13-7-9-8-14-11(15-9)10-6-12(10,2)3/h8,10,13H,4-7H2,1-3H3
InChIKeyZKFGWPHYXZSPJS-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.16
Rot. Bonds5

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

N-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 107925530) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID107925530
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C2CC2(C)C)s1
InChIInChI=1S/C12H20N2S/c1-4-5-13-7-9-8-14-11(15-9)10-6-12(10,2)3/h8,10,13H,4-7H2,1-3H3
InChIKeyZKFGWPHYXZSPJS-UHFFFAOYSA-N
XLogP3.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.16
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-[[2-(3-methylcyclopentyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 65412985
N-[[2-(2,2-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62750957
N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]butan-1-amine
CID 115697267
N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 61282504
N-[[2-(cyclopentylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 65140276
N-cyclopropyl-N-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62749927
N-[[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 116727622
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylbutan-1-amine
CID 115698880
N-[[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62753450
N-[[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82424672
3,3-dimethyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazine-2,6-dione
CID 66075809
N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 116774361

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 107925530) is N-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1cnc(C2CC2(C)C)s1.
What is the InChIKey of N-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is ZKFGWPHYXZSPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-4-5-13-7-9-8-14-11(15-9)10-6-12(10,2)3/h8,10,13H,4-7H2,1-3H3.
What are the key properties of N-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 224.37 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 107925530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).