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

C11H18N2S — CID 65420434

IUPACN-[[2-(2-methylcyclopropyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1csc(C2CC2C)n1
InChIInChI=1S/C11H18N2S/c1-3-4-12-6-9-7-14-11(13-9)10-5-8(10)2/h7-8,10,12H,3-6H2,1-2H3
InChIKeyQMAOLNASRKKJNF-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.77
Rot. Bonds5

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

N-[[2-(2-methylcyclopropyl)-1,3-thiazol-4-yl]methyl]propan-1-amine (PubChem CID 65420434) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N-[[2-(2-methylcyclopropyl)-1,3-thiazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-methylcyclopropyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
PubChem CID65420434
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN-[[2-(2-methylcyclopropyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1csc(C2CC2C)n1
InChIInChI=1S/C11H18N2S/c1-3-4-12-6-9-7-14-11(13-9)10-5-8(10)2/h7-8,10,12H,3-6H2,1-2H3
InChIKeyQMAOLNASRKKJNF-UHFFFAOYSA-N
XLogP2.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.77
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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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylcyclopropyl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-methylcyclopropyl)-1,3-thiazol-4-yl]methyl]propan-1-amine (CID 65420434) is N-[[2-(2-methylcyclopropyl)-1,3-thiazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-methylcyclopropyl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-methylcyclopropyl)-1,3-thiazol-4-yl]methyl]propan-1-amine is CCCNCc1csc(C2CC2C)n1.
What is the InChIKey of N-[[2-(2-methylcyclopropyl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
The InChIKey is QMAOLNASRKKJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-3-4-12-6-9-7-14-11(13-9)10-5-8(10)2/h7-8,10,12H,3-6H2,1-2H3.
What are the key properties of N-[[2-(2-methylcyclopropyl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
N-[[2-(2-methylcyclopropyl)-1,3-thiazol-4-yl]methyl]propan-1-amine has a molecular weight of 210.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylcyclopropyl)-1,3-thiazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 65420434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).