5-[(4-propan-2-ylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine

C16H22N2S — CID 63399362

IUPAC5-[(4-propan-2-ylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N)sc1Cc1ccc(C(C)C)cc1
InChIInChI=1S/C16H22N2S/c1-4-5-14-15(19-16(17)18-14)10-12-6-8-13(9-7-12)11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H2,17,18)
InChIKeyPEYQWBAWAYVQEI-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.39
Rot. Bonds5

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

5-[(4-propan-2-ylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine (PubChem CID 63399362) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 5-[(4-propan-2-ylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-propan-2-ylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine
PubChem CID63399362
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name5-[(4-propan-2-ylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N)sc1Cc1ccc(C(C)C)cc1
InChIInChI=1S/C16H22N2S/c1-4-5-14-15(19-16(17)18-14)10-12-6-8-13(9-7-12)11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H2,17,18)
InChIKeyPEYQWBAWAYVQEI-UHFFFAOYSA-N
XLogP4.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(4-propan-2-ylphenyl)methyl]-4-propyl-1,3-thiazol-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 5-[(4-propan-2-ylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-propan-2-ylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine (CID 63399362) is 5-[(4-propan-2-ylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-propan-2-ylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-propan-2-ylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine is CCCc1nc(N)sc1Cc1ccc(C(C)C)cc1.
What is the InChIKey of 5-[(4-propan-2-ylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine?
The InChIKey is PEYQWBAWAYVQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-4-5-14-15(19-16(17)18-14)10-12-6-8-13(9-7-12)11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H2,17,18).
What are the key properties of 5-[(4-propan-2-ylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine?
5-[(4-propan-2-ylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine has a molecular weight of 274.43 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-propan-2-ylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 63399362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).