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

C13H24N2S — CID 82432329

IUPACN-[(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCCCc1nc(C(C)(C)C)sc1CNCC
InChIInChI=1S/C13H24N2S/c1-6-8-10-11(9-14-7-2)16-12(15-10)13(3,4)5/h14H,6-9H2,1-5H3
InChIKeyKQGYWXNZEUHLCT-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.50
Rot. Bonds5

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

N-[(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 82432329) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N-[(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID82432329
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN-[(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCCCc1nc(C(C)(C)C)sc1CNCC
InChIInChI=1S/C13H24N2S/c1-6-8-10-11(9-14-7-2)16-12(15-10)13(3,4)5/h14H,6-9H2,1-5H3
InChIKeyKQGYWXNZEUHLCT-UHFFFAOYSA-N
XLogP3.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)propanoic acid
CID 82432359
N-[[4-ethyl-2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841225
2-tert-butyl-5-methyl-4-propyl-1,3-thiazole
CID 166828190
5-(ethylaminomethyl)-N,N,4-tripropyl-1,3-thiazol-2-amine
CID 55112998
N-[[2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 107925861
1-[2-(2-ethoxypropan-2-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114363464
N-[(2-cyclohexyl-4-propyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 82432400
N-[[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82431618
N-[[2-(azepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 55112709
N-[[2-(1-methoxycyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114363814
N-[[2-(1-methoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114363891
5-(ethylaminomethyl)-N,4-dipropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767854

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 82432329) is N-[(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)methyl]ethanamine is CCCc1nc(C(C)(C)C)sc1CNCC.
What is the InChIKey of N-[(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is KQGYWXNZEUHLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-6-8-10-11(9-14-7-2)16-12(15-10)13(3,4)5/h14H,6-9H2,1-5H3.
What are the key properties of N-[(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)methyl]ethanamine?
N-[(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 240.42 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 82432329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).