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

C15H20N2S — CID 54913457

IUPAC1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCC(NCc1nc(C)cs1)c1ccc(C)cc1
InChIInChI=1S/C15H20N2S/c1-4-14(13-7-5-11(2)6-8-13)16-9-15-17-12(3)10-18-15/h5-8,10,14,16H,4,9H2,1-3H3
InChIKeyMELMESPEWPMANR-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.00
Rot. Bonds5

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

1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine (PubChem CID 54913457) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
PubChem CID54913457
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCC(NCc1nc(C)cs1)c1ccc(C)cc1
InChIInChI=1S/C15H20N2S/c1-4-14(13-7-5-11(2)6-8-13)16-9-15-17-12(3)10-18-15/h5-8,10,14,16H,4,9H2,1-3H3
InChIKeyMELMESPEWPMANR-UHFFFAOYSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
CID 61043720
1-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 103786257
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 61044563
1-(4-ethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54912825
4-bromo-2-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propyl]phenol
CID 54913214
4-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenol
CID 54912829
1-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54912925
1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 60760627
1-methylsulfanyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine
CID 115900037
(1R)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 81370935
(1R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81410306
3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol
CID 111449241

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The IUPAC name of 1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine (CID 54913457) is 1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine is CCC(NCc1nc(C)cs1)c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The InChIKey is MELMESPEWPMANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-4-14(13-7-5-11(2)6-8-13)16-9-15-17-12(3)10-18-15/h5-8,10,14,16H,4,9H2,1-3H3.
What are the key properties of 1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine has a molecular weight of 260.41 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 54913457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).