N-methyl-2-[(4-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine

C15H20N2S — CID 112644019

IUPACN-methyl-2-[(4-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine
SMILESCNCC(Cc1ccc(C)cc1)Cc1cncs1
InChIInChI=1S/C15H20N2S/c1-12-3-5-13(6-4-12)7-14(9-16-2)8-15-10-17-11-18-15/h3-6,10-11,14,16H,7-9H2,1-2H3
InChIKeyQQAICXXSLDLOTL-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.07
Rot. Bonds6

About N-methyl-2-[(4-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine

N-methyl-2-[(4-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine (PubChem CID 112644019) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-methyl-2-[(4-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[(4-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine
PubChem CID112644019
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-methyl-2-[(4-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine
SMILESCNCC(Cc1ccc(C)cc1)Cc1cncs1
InChIInChI=1S/C15H20N2S/c1-12-3-5-13(6-4-12)7-14(9-16-2)8-15-10-17-11-18-15/h3-6,10-11,14,16H,7-9H2,1-2H3
InChIKeyQQAICXXSLDLOTL-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methyl]-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 115979345
2-(4-methylphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644193
N-methyl-2-[(4-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62515902
5-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-1,3-thiazole
CID 112645332
2-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-ol
CID 112645241
5-[2-(bromomethyl)-3-(3-methylphenyl)propyl]-1,3-thiazole
CID 112645336
2-benzyl-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 63019615
2-[(3-fluorophenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 62515206
2-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-3-(1,3-thiazol-5-yl)propan-1-amine
CID 115979377
1-(4-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62760386
4-methoxy-N-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 113382938
1-(4-ethylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642771

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(4-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine?
The IUPAC name of N-methyl-2-[(4-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine (CID 112644019) is N-methyl-2-[(4-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine.
What is the SMILES notation for N-methyl-2-[(4-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine?
The canonical SMILES for N-methyl-2-[(4-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine is CNCC(Cc1ccc(C)cc1)Cc1cncs1.
What is the InChIKey of N-methyl-2-[(4-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine?
The InChIKey is QQAICXXSLDLOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-12-3-5-13(6-4-12)7-14(9-16-2)8-15-10-17-11-18-15/h3-6,10-11,14,16H,7-9H2,1-2H3.
What are the key properties of N-methyl-2-[(4-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine?
N-methyl-2-[(4-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine has a molecular weight of 260.41 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(4-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine is sourced from PubChem (CID 112644019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).