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

C15H20N2S — CID 115089214

IUPACN-methyl-1-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-2-amine
SMILESCNC(C)Cc1csc(Cc2cccc(C)c2)n1
InChIInChI=1S/C15H20N2S/c1-11-5-4-6-13(7-11)9-15-17-14(10-18-15)8-12(2)16-3/h4-7,10,12,16H,8-9H2,1-3H3
InChIKeyTYMJNRZWGGGOAX-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.19
Rot. Bonds5

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

N-methyl-1-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-2-amine (PubChem CID 115089214) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-methyl-1-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-2-amine
PubChem CID115089214
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-methyl-1-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-2-amine
SMILESCNC(C)Cc1csc(Cc2cccc(C)c2)n1
InChIInChI=1S/C15H20N2S/c1-11-5-4-6-13(7-11)9-15-17-14(10-18-15)8-12(2)16-3/h4-7,10,12,16H,8-9H2,1-3H3
InChIKeyTYMJNRZWGGGOAX-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine
CID 115089230
2-benzyl-4-[(3-methylphenyl)methylsulfinylmethyl]-1,3-thiazole
CID 71935057
2-benzyl-4-[[(R)-(3-methylphenyl)methylsulfinyl]methyl]-1,3-thiazole
CID 95064196
1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]propan-2-ol
CID 115089163
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-methylbenzamide
CID 108737581
1-(3-methylphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 87038246
[2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]methanamine
CID 62596294
4-[4-[2-(methylamino)propyl]-1,3-thiazol-2-yl]phenol
CID 136987769
N-methyl-1-(6-methyl-2-pyridinyl)propan-2-amine
CID 16640577
4-(3-methylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 63238721
4-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1,3-thiazole
CID 61221053
N-methyl-1-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 115088010

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-2-amine?
The IUPAC name of N-methyl-1-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-2-amine (CID 115089214) is N-methyl-1-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-2-amine?
The canonical SMILES for N-methyl-1-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-2-amine is CNC(C)Cc1csc(Cc2cccc(C)c2)n1.
What is the InChIKey of N-methyl-1-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-2-amine?
The InChIKey is TYMJNRZWGGGOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-11-5-4-6-13(7-11)9-15-17-14(10-18-15)8-12(2)16-3/h4-7,10,12,16H,8-9H2,1-3H3.
What are the key properties of N-methyl-1-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-2-amine?
N-methyl-1-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-2-amine has a molecular weight of 260.41 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-2-amine is sourced from PubChem (CID 115089214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).