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

C17H24N2S — CID 79436580

IUPACN-ethyl-2-(4-methylphenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
SMILESCCNCC(CCc1scnc1C)c1ccc(C)cc1
InChIInChI=1S/C17H24N2S/c1-4-18-11-16(15-7-5-13(2)6-8-15)9-10-17-14(3)19-12-20-17/h5-8,12,16,18H,4,9-11H2,1-3H3
InChIKeyCHUZKRUNWNRUKM-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.09
Rot. Bonds7

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

N-ethyl-2-(4-methylphenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine (PubChem CID 79436580) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-ethyl-2-(4-methylphenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-methylphenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
PubChem CID79436580
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-ethyl-2-(4-methylphenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
SMILESCCNCC(CCc1scnc1C)c1ccc(C)cc1
InChIInChI=1S/C17H24N2S/c1-4-18-11-16(15-7-5-13(2)6-8-15)9-10-17-14(3)19-12-20-17/h5-8,12,16,18H,4,9-11H2,1-3H3
InChIKeyCHUZKRUNWNRUKM-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(4-fluorophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 79441697
N-methyl-2-[(4-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62515902
2-(3-chlorophenyl)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 79442661
2-methyl-4-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine
CID 62528685
5-[4-chloro-3-(3-methylphenyl)butyl]-4-methyl-1,3-thiazole
CID 79423423
2-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62529443
2-(4-methylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine
CID 55016555
N-ethyl-2-(4-methylphenyl)-4-propan-2-ylsulfonylbutan-1-amine
CID 106730122
N-ethyl-5-methoxy-5-methyl-2-(4-methylphenyl)hexan-1-amine
CID 103036870
N-ethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine
CID 62444186
N-ethyl-2-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]ethanamine
CID 105349386
3,3-dimethyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine
CID 83139639

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methylphenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
The IUPAC name of N-ethyl-2-(4-methylphenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine (CID 79436580) is N-ethyl-2-(4-methylphenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-2-(4-methylphenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
The canonical SMILES for N-ethyl-2-(4-methylphenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine is CCNCC(CCc1scnc1C)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-2-(4-methylphenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
The InChIKey is CHUZKRUNWNRUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-4-18-11-16(15-7-5-13(2)6-8-15)9-10-17-14(3)19-12-20-17/h5-8,12,16,18H,4,9-11H2,1-3H3.
What are the key properties of N-ethyl-2-(4-methylphenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
N-ethyl-2-(4-methylphenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine has a molecular weight of 288.46 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methylphenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine is sourced from PubChem (CID 79436580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).