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

C13H22N2S — CID 65412985

IUPACN-[[2-(3-methylcyclopentyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C2CCC(C)C2)s1
InChIInChI=1S/C13H22N2S/c1-3-6-14-8-12-9-15-13(16-12)11-5-4-10(2)7-11/h9-11,14H,3-8H2,1-2H3
InChIKeyBDHBZMUICQDDEP-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.55
Rot. Bonds5

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

N-[[2-(3-methylcyclopentyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 65412985) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-[[2-(3-methylcyclopentyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-methylcyclopentyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID65412985
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-[[2-(3-methylcyclopentyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C2CCC(C)C2)s1
InChIInChI=1S/C13H22N2S/c1-3-6-14-8-12-9-15-13(16-12)11-5-4-10(2)7-11/h9-11,14H,3-8H2,1-2H3
InChIKeyBDHBZMUICQDDEP-UHFFFAOYSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.55
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

2-methyl-N-[[2-(3-methylcyclopentyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 65412814
N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]butan-1-amine
CID 115697267
N-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 107925530
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylbutan-1-amine
CID 115698880
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-ethylbutan-1-amine
CID 115698948
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 115699018
N-[[2-(3-methylcyclopentyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365150
N-[[2-(3-ethylcyclopentyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 65405428
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-prop-2-enylsulfanylethanamine
CID 115698941
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpentan-2-amine
CID 115698956
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pentan-2-amine
CID 115698852
3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]propan-1-ol
CID 115697275

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylcyclopentyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3-methylcyclopentyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 65412985) is N-[[2-(3-methylcyclopentyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3-methylcyclopentyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3-methylcyclopentyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1cnc(C2CCC(C)C2)s1.
What is the InChIKey of N-[[2-(3-methylcyclopentyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is BDHBZMUICQDDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-3-6-14-8-12-9-15-13(16-12)11-5-4-10(2)7-11/h9-11,14H,3-8H2,1-2H3.
What are the key properties of N-[[2-(3-methylcyclopentyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[2-(3-methylcyclopentyl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylcyclopentyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 65412985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).