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

C18H26N2S — CID 79782920

IUPAC2-methyl-N-[2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethyl]propan-2-amine
SMILESCCCc1nc(-c2ccccc2)c(CCNC(C)(C)C)s1
InChIInChI=1S/C18H26N2S/c1-5-9-16-20-17(14-10-7-6-8-11-14)15(21-16)12-13-19-18(2,3)4/h6-8,10-11,19H,5,9,12-13H2,1-4H3
InChIKeyMTJUCRJJJVCHKD-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.69
Rot. Bonds6

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

2-methyl-N-[2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethyl]propan-2-amine (PubChem CID 79782920) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethyl]propan-2-amine
PubChem CID79782920
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC Name2-methyl-N-[2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethyl]propan-2-amine
SMILESCCCc1nc(-c2ccccc2)c(CCNC(C)(C)C)s1
InChIInChI=1S/C18H26N2S/c1-5-9-16-20-17(14-10-7-6-8-11-14)15(21-16)12-13-19-18(2,3)4/h6-8,10-11,19H,5,9,12-13H2,1-4H3
InChIKeyMTJUCRJJJVCHKD-UHFFFAOYSA-N
XLogP4.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethyl]propan-2-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 2-methyl-N-[2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethyl]propan-2-amine (CID 79782920) is 2-methyl-N-[2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethyl]propan-2-amine is CCCc1nc(-c2ccccc2)c(CCNC(C)(C)C)s1.
What is the InChIKey of 2-methyl-N-[2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethyl]propan-2-amine?
The InChIKey is MTJUCRJJJVCHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-5-9-16-20-17(14-10-7-6-8-11-14)15(21-16)12-13-19-18(2,3)4/h6-8,10-11,19H,5,9,12-13H2,1-4H3.
What are the key properties of 2-methyl-N-[2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethyl]propan-2-amine?
2-methyl-N-[2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethyl]propan-2-amine has a molecular weight of 302.49 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethyl]propan-2-amine is sourced from PubChem (CID 79782920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).