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

C10H18N2S — CID 61282504

IUPACN-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCCCNCc1cnc(C(C)C)s1
InChIInChI=1S/C10H18N2S/c1-4-5-11-6-9-7-12-10(13-9)8(2)3/h7-8,11H,4-6H2,1-3H3
InChIKeyAQJLEMIZBZTWMR-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.77
Rot. Bonds5

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

N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine (PubChem CID 61282504) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
PubChem CID61282504
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC NameN-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCCCNCc1cnc(C(C)C)s1
InChIInChI=1S/C10H18N2S/c1-4-5-11-6-9-7-12-10(13-9)8(2)3/h7-8,11H,4-6H2,1-3H3
InChIKeyAQJLEMIZBZTWMR-UHFFFAOYSA-N
XLogP2.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
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-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine (CID 61282504) is N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine is CCCNCc1cnc(C(C)C)s1.
What is the InChIKey of N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The InChIKey is AQJLEMIZBZTWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-4-5-11-6-9-7-12-10(13-9)8(2)3/h7-8,11H,4-6H2,1-3H3.
What are the key properties of N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine?
N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine has a molecular weight of 198.33 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-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 61282504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).