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

C12H22N2OS — CID 43670253

IUPACN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-yloxypropan-1-amine
SMILESCc1nc(C(C)NCCCOC(C)C)cs1
InChIInChI=1S/C12H22N2OS/c1-9(2)15-7-5-6-13-10(3)12-8-16-11(4)14-12/h8-10,13H,5-7H2,1-4H3
InChIKeyTXMYOXZDCXFJSZ-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.92
Rot. Bonds7

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

N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-yloxypropan-1-amine (PubChem CID 43670253) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-yloxypropan-1-amine
PubChem CID43670253
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-yloxypropan-1-amine
SMILESCc1nc(C(C)NCCCOC(C)C)cs1
InChIInChI=1S/C12H22N2OS/c1-9(2)15-7-5-6-13-10(3)12-8-16-11(4)14-12/h8-10,13H,5-7H2,1-4H3
InChIKeyTXMYOXZDCXFJSZ-UHFFFAOYSA-N
XLogP2.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

1-(4-methylmorpholin-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 53551612
1-(4-cyclopropylmorpholin-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 53584391
1-{[2-(1-Ethoxyethyl)-1,3-thiazol-4-yl]methyl}piperazine
CID 54595740
1-{[2-(1-Methoxyethyl)-1,3-thiazol-4-yl]methyl}-1,4-diazepane
CID 71755634
1-{[2-(1-Methoxyethyl)-1,3-thiazol-4-yl]methyl}piperazine
CID 71755635
1-(4-ethylmorpholin-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 72043649
3-(4-Methyl-1,3-thiazol-2-yl)morpholine
CID 75355395
Methoxy(1-(2-methyl-1,3-thiazol-4-yl)ethyl)amine
CID 82707055
{[2-(1-Ethoxyethyl)-1,3-thiazol-4-yl]methyl}(methyl)amine
CID 54595767
{[2-(1-Methoxyethyl)-1,3-thiazol-4-yl]methyl}(methyl)amine
CID 71755475
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2,6-dimethylmorpholin-4-yl)ethanamine
CID 71885865
(2S)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-4-methylpentan-2-amine
CID 95227400

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-yloxypropan-1-amine?
The IUPAC name of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-yloxypropan-1-amine (CID 43670253) is N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-yloxypropan-1-amine is Cc1nc(C(C)NCCCOC(C)C)cs1.
What is the InChIKey of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-yloxypropan-1-amine?
The InChIKey is TXMYOXZDCXFJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-9(2)15-7-5-6-13-10(3)12-8-16-11(4)14-12/h8-10,13H,5-7H2,1-4H3.
What are the key properties of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-yloxypropan-1-amine?
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-yloxypropan-1-amine has a molecular weight of 242.39 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 43670253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).