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

C13H24N2S — CID 115757174

IUPAC2-ethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine
SMILESCCC(CC)CNCc1nc(C(C)C)cs1
InChIInChI=1S/C13H24N2S/c1-5-11(6-2)7-14-8-13-15-12(9-16-13)10(3)4/h9-11,14H,5-8H2,1-4H3
InChIKeyAXOHGKONYGAAER-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.79
Rot. Bonds7

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

2-ethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine (PubChem CID 115757174) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 2-ethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine
PubChem CID115757174
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name2-ethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine
SMILESCCC(CC)CNCc1nc(C(C)C)cs1
InChIInChI=1S/C13H24N2S/c1-5-11(6-2)7-14-8-13-15-12(9-16-13)10(3)4/h9-11,14H,5-8H2,1-4H3
InChIKeyAXOHGKONYGAAER-UHFFFAOYSA-N
XLogP3.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Isopropyl-4-(N-methyl)amino-methyl thiazole
CID 10749687
2-(2-Methyl-1,3-thiazol-4-yl)ethan-1-amine
CID 7536518
(4-Tert-butyl-1,3-thiazol-2-yl)methanamine
CID 4274577
{1-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine
CID 50987749
2-(4-Cyclopropyl-1,3-thiazol-2-yl)ethan-1-amine
CID 5207560
(4-Cyclopropyl-1,3-thiazol-2-yl)methanamine
CID 3896896
1-(4-Tert-butyl-1,3-thiazol-2-yl)ethan-1-amine
CID 4016996
2-Isopropyl-4-((N-Methylamino)Methyl)Thiazole Hydrochloride
CID 11622565
4-Methyl-2-(pyrrolidin-3-yl)-1,3-thiazole
CID 12150004
1-(2-Methyl-1,3-thiazol-4-yl)ethan-1-amine
CID 18184162
alpha-Methyl-2-(1-methylethyl)-4-thiazolemethanamine
CID 21667605
4-Methyl-2-(pyrrolidin-2-yl)-1,3-thiazole
CID 22256522

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine?
The IUPAC name of 2-ethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine (CID 115757174) is 2-ethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-ethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine?
The canonical SMILES for 2-ethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine is CCC(CC)CNCc1nc(C(C)C)cs1.
What is the InChIKey of 2-ethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine?
The InChIKey is AXOHGKONYGAAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-5-11(6-2)7-14-8-13-15-12(9-16-13)10(3)4/h9-11,14H,5-8H2,1-4H3.
What are the key properties of 2-ethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine?
2-ethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine has a molecular weight of 240.42 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 115757174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).