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

C13H24N2S — CID 102625929

IUPACN-[(4-hexyl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCCCCCCc1csc(CNC(C)C)n1
InChIInChI=1S/C13H24N2S/c1-4-5-6-7-8-12-10-16-13(15-12)9-14-11(2)3/h10-11,14H,4-9H2,1-3H3
InChIKeyPDYSZRLAODUGTF-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.76
Rot. Bonds8

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

N-[(4-hexyl-1,3-thiazol-2-yl)methyl]propan-2-amine (PubChem CID 102625929) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N-[(4-hexyl-1,3-thiazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-hexyl-1,3-thiazol-2-yl)methyl]propan-2-amine
PubChem CID102625929
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN-[(4-hexyl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCCCCCCc1csc(CNC(C)C)n1
InChIInChI=1S/C13H24N2S/c1-4-5-6-7-8-12-10-16-13(15-12)9-14-11(2)3/h10-11,14H,4-9H2,1-3H3
InChIKeyPDYSZRLAODUGTF-UHFFFAOYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.76
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-[(4-hexyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(4-hexyl-1,3-thiazol-2-yl)methyl]propan-2-amine (CID 102625929) is N-[(4-hexyl-1,3-thiazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-hexyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-hexyl-1,3-thiazol-2-yl)methyl]propan-2-amine is CCCCCCc1csc(CNC(C)C)n1.
What is the InChIKey of N-[(4-hexyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The InChIKey is PDYSZRLAODUGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-4-5-6-7-8-12-10-16-13(15-12)9-14-11(2)3/h10-11,14H,4-9H2,1-3H3.
What are the key properties of N-[(4-hexyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
N-[(4-hexyl-1,3-thiazol-2-yl)methyl]propan-2-amine has a molecular weight of 240.42 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hexyl-1,3-thiazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 102625929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).