N-methyl-4-[3-methyl-2-(1,3-thiazol-2-yl)butyl]aniline

C15H20N2S — CID 123699768

IUPACN-methyl-4-[3-methyl-2-(1,3-thiazol-2-yl)butyl]aniline
SMILESCNc1ccc(CC(c2nccs2)C(C)C)cc1
InChIInChI=1S/C15H20N2S/c1-11(2)14(15-17-8-9-18-15)10-12-4-6-13(16-3)7-5-12/h4-9,11,14,16H,10H2,1-3H3
InChIKeyFPLHXUVKLSDKOH-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.17
Rot. Bonds5

About N-methyl-4-[3-methyl-2-(1,3-thiazol-2-yl)butyl]aniline

N-methyl-4-[3-methyl-2-(1,3-thiazol-2-yl)butyl]aniline (PubChem CID 123699768) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-methyl-4-[3-methyl-2-(1,3-thiazol-2-yl)butyl]aniline.

Molecular Properties

Compound NameN-methyl-4-[3-methyl-2-(1,3-thiazol-2-yl)butyl]aniline
PubChem CID123699768
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-methyl-4-[3-methyl-2-(1,3-thiazol-2-yl)butyl]aniline
SMILESCNc1ccc(CC(c2nccs2)C(C)C)cc1
InChIInChI=1S/C15H20N2S/c1-11(2)14(15-17-8-9-18-15)10-12-4-6-13(16-3)7-5-12/h4-9,11,14,16H,10H2,1-3H3
InChIKeyFPLHXUVKLSDKOH-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[2-(1,3-thiazol-2-yl)propyl]aniline
CID 90392146
N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 61335195
N-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine
CID 177016308
4-[(2S)-2-(ethylamino)-2-(1,3-thiazol-2-yl)ethyl]aniline
CID 155014309
1-[[(1S)-2-(4-aminophenyl)-1-(1,3-thiazol-2-yl)ethyl]amino]ethanethiol
CID 155014307
(2R)-3-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 95366812
N-[(4-tert-butylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63600035
N-[(3,4-dimethylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63599165
(1R)-N-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 95366218
N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 46785150
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
3-(4-ethylphenyl)-2-(1,3-thiazol-2-yl)propan-1-amine
CID 83977512

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-methyl-2-(1,3-thiazol-2-yl)butyl]aniline?
The IUPAC name of N-methyl-4-[3-methyl-2-(1,3-thiazol-2-yl)butyl]aniline (CID 123699768) is N-methyl-4-[3-methyl-2-(1,3-thiazol-2-yl)butyl]aniline.
What is the SMILES notation for N-methyl-4-[3-methyl-2-(1,3-thiazol-2-yl)butyl]aniline?
The canonical SMILES for N-methyl-4-[3-methyl-2-(1,3-thiazol-2-yl)butyl]aniline is CNc1ccc(CC(c2nccs2)C(C)C)cc1.
What is the InChIKey of N-methyl-4-[3-methyl-2-(1,3-thiazol-2-yl)butyl]aniline?
The InChIKey is FPLHXUVKLSDKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-11(2)14(15-17-8-9-18-15)10-12-4-6-13(16-3)7-5-12/h4-9,11,14,16H,10H2,1-3H3.
What are the key properties of N-methyl-4-[3-methyl-2-(1,3-thiazol-2-yl)butyl]aniline?
N-methyl-4-[3-methyl-2-(1,3-thiazol-2-yl)butyl]aniline has a molecular weight of 260.41 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-methyl-2-(1,3-thiazol-2-yl)butyl]aniline is sourced from PubChem (CID 123699768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).