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

C16H22N2S — CID 82431618

IUPACN-[[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCCc1nc(-c2ccc(C)cc2)sc1CNCC
InChIInChI=1S/C16H22N2S/c1-4-6-14-15(11-17-5-2)19-16(18-14)13-9-7-12(3)8-10-13/h7-10,17H,4-6,11H2,1-3H3
InChIKeyYFAQWDMQLLAFDH-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.18
Rot. Bonds6

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

N-[[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 82431618) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID82431618
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-[[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCCc1nc(-c2ccc(C)cc2)sc1CNCC
InChIInChI=1S/C16H22N2S/c1-4-6-14-15(11-17-5-2)19-16(18-14)13-9-7-12(3)8-10-13/h7-10,17H,4-6,11H2,1-3H3
InChIKeyYFAQWDMQLLAFDH-UHFFFAOYSA-N
XLogP4.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82431617
N-[[2-(4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82432649
N-[[2-(3-fluoro-5-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114364081
N-[[2-(3-bromo-5-fluorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114363835
N-[[2-(3-bromo-4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 106951183
N-[[2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82431840
N-[[2-(4-methylphenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368957
N-[[4-ethyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841372
N-[[2-(4-fluoro-2-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114363839
N-[[2-(3,5-difluorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114363996
N-methyl-1-[2-[(4-methylphenyl)methyl]-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114363582
N-[[2-(4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366189

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine (CID 82431618) is N-[[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine is CCCc1nc(-c2ccc(C)cc2)sc1CNCC.
What is the InChIKey of N-[[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is YFAQWDMQLLAFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-4-6-14-15(11-17-5-2)19-16(18-14)13-9-7-12(3)8-10-13/h7-10,17H,4-6,11H2,1-3H3.
What are the key properties of N-[[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 274.43 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 82431618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).