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

C11H20N2S — CID 62403726

IUPACN-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCCCNCc1sc(C(C)C)nc1C
InChIInChI=1S/C11H20N2S/c1-5-6-12-7-10-9(4)13-11(14-10)8(2)3/h8,12H,5-7H2,1-4H3
InChIKeyAETGJMPXTNPDMM-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.07
Rot. Bonds5

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

N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine (PubChem CID 62403726) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
PubChem CID62403726
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCCCNCc1sc(C(C)C)nc1C
InChIInChI=1S/C11H20N2S/c1-5-6-12-7-10-9(4)13-11(14-10)8(2)3/h8,12H,5-7H2,1-4H3
InChIKeyAETGJMPXTNPDMM-UHFFFAOYSA-N
XLogP3.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-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-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine (CID 62403726) is N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine is CCCNCc1sc(C(C)C)nc1C.
What is the InChIKey of N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The InChIKey is AETGJMPXTNPDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-5-6-12-7-10-9(4)13-11(14-10)8(2)3/h8,12H,5-7H2,1-4H3.
What are the key properties of N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine?
N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine has a molecular weight of 212.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 62403726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).