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

C17H24N2S — CID 82433713

IUPACN-[(2-phenyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]butan-1-amine
SMILESCCCCNCc1sc(-c2ccccc2)nc1C(C)C
InChIInChI=1S/C17H24N2S/c1-4-5-11-18-12-15-16(13(2)3)19-17(20-15)14-9-7-6-8-10-14/h6-10,13,18H,4-5,11-12H2,1-3H3
InChIKeyPQBKGNSPUOOQOZ-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.82
Rot. Bonds7

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

N-[(2-phenyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]butan-1-amine (PubChem CID 82433713) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-[(2-phenyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-[(2-phenyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]butan-1-amine
PubChem CID82433713
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-[(2-phenyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]butan-1-amine
SMILESCCCCNCc1sc(-c2ccccc2)nc1C(C)C
InChIInChI=1S/C17H24N2S/c1-4-5-11-18-12-15-16(13(2)3)19-17(20-15)14-9-7-6-8-10-14/h6-10,13,18H,4-5,11-12H2,1-3H3
InChIKeyPQBKGNSPUOOQOZ-UHFFFAOYSA-N
XLogP4.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]butan-1-amine?
The IUPAC name of N-[(2-phenyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]butan-1-amine (CID 82433713) is N-[(2-phenyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]butan-1-amine.
What is the SMILES notation for N-[(2-phenyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]butan-1-amine?
The canonical SMILES for N-[(2-phenyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]butan-1-amine is CCCCNCc1sc(-c2ccccc2)nc1C(C)C.
What is the InChIKey of N-[(2-phenyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]butan-1-amine?
The InChIKey is PQBKGNSPUOOQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-4-5-11-18-12-15-16(13(2)3)19-17(20-15)14-9-7-6-8-10-14/h6-10,13,18H,4-5,11-12H2,1-3H3.
What are the key properties of N-[(2-phenyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]butan-1-amine?
N-[(2-phenyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]butan-1-amine has a molecular weight of 288.46 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]butan-1-amine is sourced from PubChem (CID 82433713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).