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

C16H29N3OS — CID 79664430

IUPACN-[2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1csc(C)n1)C1CN(CCC)CCO1
InChIInChI=1S/C16H29N3OS/c1-4-6-17-15(10-14-12-21-13(3)18-14)16-11-19(7-5-2)8-9-20-16/h12,15-17H,4-11H2,1-3H3
InChIKeyQWIMKUVXBSQAIT-UHFFFAOYSA-N
MW311.49 g/mol
LogP2.47
Rot. Bonds8

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

N-[2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine (PubChem CID 79664430) has the molecular formula C16H29N3OS and a molecular weight of 311.49 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine
PubChem CID79664430
Molecular FormulaC16H29N3OS
Molecular Weight311.49 g/mol
Exact Mass311.20
IUPAC NameN-[2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1csc(C)n1)C1CN(CCC)CCO1
InChIInChI=1S/C16H29N3OS/c1-4-6-17-15(10-14-12-21-13(3)18-14)16-11-19(7-5-2)8-9-20-16/h12,15-17H,4-11H2,1-3H3
InChIKeyQWIMKUVXBSQAIT-UHFFFAOYSA-N
XLogP2.47
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.49
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-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-ethylmorpholin-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105247665
N-[1-(4-propylmorpholin-2-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79824727
N-[2-(1-methyltriazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine
CID 107050193
N-propyl-1-(4-propylmorpholin-2-yl)-3-thiophen-2-ylpropan-1-amine
CID 79664239
N-[2-(5-chlorothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine
CID 79664444
2-(4-bromothiophen-2-yl)-N-ethyl-1-(4-propylmorpholin-2-yl)ethanamine
CID 79658332
5,5,5-trifluoro-N-propyl-1-(4-propylmorpholin-2-yl)pentan-1-amine
CID 115517365
N-ethyl-1-(4-propylmorpholin-2-yl)-2-thiophen-2-ylethanamine
CID 79657789
N-ethyl-1-(4-propylmorpholin-2-yl)-2-thiophen-3-ylethanamine
CID 79657173
N-[(4-bromothiophen-3-yl)-(4-propylmorpholin-2-yl)methyl]propan-1-amine
CID 79676101
N-[1-(4-ethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 64774218
N-[1-(4-ethylmorpholin-2-yl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 79665908

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine (CID 79664430) is N-[2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine is CCCNC(Cc1csc(C)n1)C1CN(CCC)CCO1.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine?
The InChIKey is QWIMKUVXBSQAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-4-6-17-15(10-14-12-21-13(3)18-14)16-11-19(7-5-2)8-9-20-16/h12,15-17H,4-11H2,1-3H3.
What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine?
N-[2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine has a molecular weight of 311.49 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 79664430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).