N-ethyl-3,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine

C13H24N2S — CID 104997067

IUPACN-ethyl-3,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine
SMILESCCNC(Cc1csc(C)n1)C(C)(C)CC
InChIInChI=1S/C13H24N2S/c1-6-13(4,5)12(14-7-2)8-11-9-16-10(3)15-11/h9,12,14H,6-8H2,1-5H3
InChIKeyQIGWOUQPCPIJRW-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.41
Rot. Bonds6

About N-ethyl-3,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine

N-ethyl-3,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine (PubChem CID 104997067) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N-ethyl-3,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-3,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine
PubChem CID104997067
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN-ethyl-3,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine
SMILESCCNC(Cc1csc(C)n1)C(C)(C)CC
InChIInChI=1S/C13H24N2S/c1-6-13(4,5)12(14-7-2)8-11-9-16-10(3)15-11/h9,12,14H,6-8H2,1-5H3
InChIKeyQIGWOUQPCPIJRW-UHFFFAOYSA-N
XLogP3.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-3,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-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

[3,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-yl]hydrazine
CID 105316246
N-ethyl-4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312071
3-N,3-N-diethyl-2-N,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentane-2,3-diamine
CID 79068599
[1,1,1-trifluoro-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine
CID 105215784
N-ethyl-5-methoxy-4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine
CID 105159007
N-ethyl-3,3-dimethyl-1-(4-methylphenyl)pentan-2-amine
CID 62678800
N-ethyl-1-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62798637
N-ethyl-1-(4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 55119799
N-ethyl-2,3-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
CID 81015805
N-ethyl-1-(3-ethyl-2-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 82729902
1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 62798804
(2S)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 94607240

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine?
The IUPAC name of N-ethyl-3,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine (CID 104997067) is N-ethyl-3,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-3,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-3,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine is CCNC(Cc1csc(C)n1)C(C)(C)CC.
What is the InChIKey of N-ethyl-3,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine?
The InChIKey is QIGWOUQPCPIJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-6-13(4,5)12(14-7-2)8-11-9-16-10(3)15-11/h9,12,14H,6-8H2,1-5H3.
What are the key properties of N-ethyl-3,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine?
N-ethyl-3,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine has a molecular weight of 240.42 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine is sourced from PubChem (CID 104997067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).