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

C16H22N2S — CID 62544495

IUPACN-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nc(-c2ccc(C(C)C)cc2)cs1
InChIInChI=1S/C16H22N2S/c1-4-9-17-10-16-18-15(11-19-16)14-7-5-13(6-8-14)12(2)3/h5-8,11-12,17H,4,9-10H2,1-3H3
InChIKeyPGQYFQCGOVVTQA-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.43
Rot. Bonds6

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

N-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine (PubChem CID 62544495) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
PubChem CID62544495
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nc(-c2ccc(C(C)C)cc2)cs1
InChIInChI=1S/C16H22N2S/c1-4-9-17-10-16-18-15(11-19-16)14-7-5-13(6-8-14)12(2)3/h5-8,11-12,17H,4,9-10H2,1-3H3
InChIKeyPGQYFQCGOVVTQA-UHFFFAOYSA-N
XLogP4.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.43
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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Related Compounds

N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62542694
N-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 55129658
N-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62544345
N-[2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopropanamine
CID 82103497
N-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 55027194
3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 60961920
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine
CID 82103158
N-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558401
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine
CID 115566923
1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-(4-propan-2-ylphenyl)urea
CID 71691474
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-4-propan-2-ylbenzenesulfonamide
CID 110393720
N-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62924128

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine (CID 62544495) is N-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine is CCCNCc1nc(-c2ccc(C(C)C)cc2)cs1.
What is the InChIKey of N-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
The InChIKey is PGQYFQCGOVVTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-4-9-17-10-16-18-15(11-19-16)14-7-5-13(6-8-14)12(2)3/h5-8,11-12,17H,4,9-10H2,1-3H3.
What are the key properties of N-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
N-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine has a molecular weight of 274.43 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62544495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).