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

C15H20N2S — CID 116968163

IUPACN-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine
SMILESCNCCCCc1nc(-c2ccc(C)cc2)cs1
InChIInChI=1S/C15H20N2S/c1-12-6-8-13(9-7-12)14-11-18-15(17-14)5-3-4-10-16-2/h6-9,11,16H,3-5,10H2,1-2H3
InChIKeyIZZCKNZNBXWMRT-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.66
Rot. Bonds6

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

N-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine (PubChem CID 116968163) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine
PubChem CID116968163
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine
SMILESCNCCCCc1nc(-c2ccc(C)cc2)cs1
InChIInChI=1S/C15H20N2S/c1-12-6-8-13(9-7-12)14-11-18-15(17-14)5-3-4-10-16-2/h6-9,11,16H,3-5,10H2,1-2H3
InChIKeyIZZCKNZNBXWMRT-UHFFFAOYSA-N
XLogP3.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.66
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

3-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine
CID 116964998
N-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 4660258
4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylbutan-1-amine
CID 116968174
N-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]prop-2-en-1-amine
CID 82103343
N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-amine
CID 116965021
N-methyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride
CID 120558492
N-tert-butyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 79816774
N-(2-methylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 79816985
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864
N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62542694
2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethylamino]acetic acid
CID 82103135
N-[4-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 82103470

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine?
The IUPAC name of N-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine (CID 116968163) is N-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine.
What is the SMILES notation for N-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine?
The canonical SMILES for N-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine is CNCCCCc1nc(-c2ccc(C)cc2)cs1.
What is the InChIKey of N-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine?
The InChIKey is IZZCKNZNBXWMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-12-6-8-13(9-7-12)14-11-18-15(17-14)5-3-4-10-16-2/h6-9,11,16H,3-5,10H2,1-2H3.
What are the key properties of N-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine?
N-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine has a molecular weight of 260.41 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine is sourced from PubChem (CID 116968163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).