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

C16H28N2S — CID 114365150

IUPACN-[[2-(3-methylcyclopentyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(C2CCC(C)C2)nc1C(C)C
InChIInChI=1S/C16H28N2S/c1-5-8-17-10-14-15(11(2)3)18-16(19-14)13-7-6-12(4)9-13/h11-13,17H,5-10H2,1-4H3
InChIKeyQWLDRGROFRXYAK-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.67
Rot. Bonds6

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

N-[[2-(3-methylcyclopentyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 114365150) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N-[[2-(3-methylcyclopentyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-methylcyclopentyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID114365150
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN-[[2-(3-methylcyclopentyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(C2CCC(C)C2)nc1C(C)C
InChIInChI=1S/C16H28N2S/c1-5-8-17-10-14-15(11(2)3)18-16(19-14)13-7-6-12(4)9-13/h11-13,17H,5-10H2,1-4H3
InChIKeyQWLDRGROFRXYAK-UHFFFAOYSA-N
XLogP4.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[2-(3-methylcyclopentyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82434552
N-[[2-(2-methylcyclopropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114364953
N-[[2-(3-methylcyclopentyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 65412985
4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 114365185
N-[[4-ethyl-2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 104841421
N-[[2-(3,4-dimethylpyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79393677
N-[[2-(3-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79395785
N-[[2-(4-ethylcyclohexyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114365494
N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 62403380
N-[[2-(4-tert-butylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 65415241
2-methyl-N-[[4-methyl-2-(3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62404624
N-[[2-(3-methylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364221

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylcyclopentyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3-methylcyclopentyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 114365150) is N-[[2-(3-methylcyclopentyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3-methylcyclopentyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3-methylcyclopentyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1sc(C2CCC(C)C2)nc1C(C)C.
What is the InChIKey of N-[[2-(3-methylcyclopentyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is QWLDRGROFRXYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-5-8-17-10-14-15(11(2)3)18-16(19-14)13-7-6-12(4)9-13/h11-13,17H,5-10H2,1-4H3.
What are the key properties of N-[[2-(3-methylcyclopentyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[2-(3-methylcyclopentyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylcyclopentyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 114365150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).