N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-2-ylethanamine

C12H21N3OS — CID 66426868

IUPACN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-2-ylethanamine
SMILESCc1csc(CCNCCC2CNCCO2)n1
InChIInChI=1S/C12H21N3OS/c1-10-9-17-12(15-10)3-5-13-4-2-11-8-14-6-7-16-11/h9,11,13-14H,2-8H2,1H3
InChIKeyCZUJUDPMORCATK-UHFFFAOYSA-N
MW255.39 g/mol
LogP0.96
Rot. Bonds6

About N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-2-ylethanamine

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-2-ylethanamine (PubChem CID 66426868) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-2-ylethanamine
PubChem CID66426868
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-2-ylethanamine
SMILESCc1csc(CCNCCC2CNCCO2)n1
InChIInChI=1S/C12H21N3OS/c1-10-9-17-12(15-10)3-5-13-4-2-11-8-14-6-7-16-11/h9,11,13-14H,2-8H2,1H3
InChIKeyCZUJUDPMORCATK-UHFFFAOYSA-N
XLogP0.96
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-3-ylethanamine
CID 63241058
2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]morpholine
CID 116969136
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine
CID 63239020
2-(azetidin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 116679709
N-methyl-2-morpholin-2-ylethanamine
CID 14652595
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolan-3-amine
CID 63335162
N-[(3-methylpyrrolidin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 102776004
2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]acetic acid
CID 82103146
4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]cyclohexan-1-ol
CID 106594624
5-methyl-N-(2-morpholin-2-ylethyl)hexan-1-amine
CID 115326053
N-[(3-methylphenyl)methyl]-2-morpholin-2-ylethanamine
CID 115239213
2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 63000811

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-2-ylethanamine?
The IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-2-ylethanamine (CID 66426868) is N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-2-ylethanamine.
What is the SMILES notation for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-2-ylethanamine?
The canonical SMILES for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-2-ylethanamine is Cc1csc(CCNCCC2CNCCO2)n1.
What is the InChIKey of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-2-ylethanamine?
The InChIKey is CZUJUDPMORCATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-10-9-17-12(15-10)3-5-13-4-2-11-8-14-6-7-16-11/h9,11,13-14H,2-8H2,1H3.
What are the key properties of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-2-ylethanamine?
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-2-ylethanamine has a molecular weight of 255.39 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-2-ylethanamine is sourced from PubChem (CID 66426868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).