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

C17H24N2S — CID 62515902

IUPACN-methyl-2-[(4-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
SMILESCNCC(CCc1scnc1C)Cc1ccc(C)cc1
InChIInChI=1S/C17H24N2S/c1-13-4-6-15(7-5-13)10-16(11-18-3)8-9-17-14(2)19-12-20-17/h4-7,12,16,18H,8-11H2,1-3H3
InChIKeyAFSWBFAMBURIBH-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.77
Rot. Bonds7

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

N-methyl-2-[(4-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine (PubChem CID 62515902) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-methyl-2-[(4-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[(4-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
PubChem CID62515902
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-methyl-2-[(4-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
SMILESCNCC(CCc1scnc1C)Cc1ccc(C)cc1
InChIInChI=1S/C17H24N2S/c1-13-4-6-15(7-5-13)10-16(11-18-3)8-9-17-14(2)19-12-20-17/h4-7,12,16,18H,8-11H2,1-3H3
InChIKeyAFSWBFAMBURIBH-UHFFFAOYSA-N
XLogP3.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methyl]-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62515744
5-[3-(chloromethyl)-4-(4-methoxyphenyl)butyl]-4-methyl-1,3-thiazole
CID 66036397
2-[(4-methoxyphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62530583
N-ethyl-2-(4-methylphenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 79436580
N-methyl-2-[(4-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644019
2-(3-chlorophenyl)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 79442661
2-[(4-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid
CID 62071690
5-[3-(bromomethyl)-4-(3-methoxyphenyl)butyl]-4-methyl-1,3-thiazole
CID 66041537
2-[(2-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
CID 66060380
2-methyl-4-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine
CID 62528685
N-tert-butyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62531100
2-[(2-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
CID 66058492

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(4-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
The IUPAC name of N-methyl-2-[(4-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine (CID 62515902) is N-methyl-2-[(4-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine.
What is the SMILES notation for N-methyl-2-[(4-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
The canonical SMILES for N-methyl-2-[(4-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine is CNCC(CCc1scnc1C)Cc1ccc(C)cc1.
What is the InChIKey of N-methyl-2-[(4-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
The InChIKey is AFSWBFAMBURIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-13-4-6-15(7-5-13)10-16(11-18-3)8-9-17-14(2)19-12-20-17/h4-7,12,16,18H,8-11H2,1-3H3.
What are the key properties of N-methyl-2-[(4-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
N-methyl-2-[(4-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine has a molecular weight of 288.46 g/mol, XLogP of 3.77, 7 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]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine is sourced from PubChem (CID 62515902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).