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

C14H18N2S — CID 62542694

IUPACN-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nc(-c2ccc(C)cc2)cs1
InChIInChI=1S/C14H18N2S/c1-3-8-15-9-14-16-13(10-17-14)12-6-4-11(2)5-7-12/h4-7,10,15H,3,8-9H2,1-2H3
InChIKeyPGPFKNWKMPPIGS-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.62
Rot. Bonds5

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

N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine (PubChem CID 62542694) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
PubChem CID62542694
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nc(-c2ccc(C)cc2)cs1
InChIInChI=1S/C14H18N2S/c1-3-8-15-9-14-16-13(10-17-14)12-6-4-11(2)5-7-12/h4-7,10,15H,3,8-9H2,1-2H3
InChIKeyPGPFKNWKMPPIGS-UHFFFAOYSA-N
XLogP3.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.62
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-bromophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 55129658
N-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62544495
N-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 4660258
N-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62544345
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine
CID 115566923
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine
CID 82103158
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
2,6-ditert-butyl-4-[2-(propylaminomethyl)-1,3-thiazol-4-yl]phenol;hydrochloride
CID 87312849
N-[[4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62544348
N-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 55129516
N-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116968163
N-[[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62543860

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine (CID 62542694) is N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine is CCCNCc1nc(-c2ccc(C)cc2)cs1.
What is the InChIKey of N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
The InChIKey is PGPFKNWKMPPIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-3-8-15-9-14-16-13(10-17-14)12-6-4-11(2)5-7-12/h4-7,10,15H,3,8-9H2,1-2H3.
What are the key properties of N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine has a molecular weight of 246.38 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62542694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).