N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2-prop-2-ynoxyethanamine

C12H18N2OS — CID 138032714

IUPACN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2-prop-2-ynoxyethanamine
SMILESC#CCOCCN(C)Cc1cnc(CC)s1
InChIInChI=1S/C12H18N2OS/c1-4-7-15-8-6-14(3)10-11-9-13-12(5-2)16-11/h1,9H,5-8,10H2,2-3H3
InChIKeyFBQQPOQSMGLPRG-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.79
Rot. Bonds7

About N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2-prop-2-ynoxyethanamine

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2-prop-2-ynoxyethanamine (PubChem CID 138032714) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2-prop-2-ynoxyethanamine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2-prop-2-ynoxyethanamine
PubChem CID138032714
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2-prop-2-ynoxyethanamine
SMILESC#CCOCCN(C)Cc1cnc(CC)s1
InChIInChI=1S/C12H18N2OS/c1-4-7-15-8-6-14(3)10-11-9-13-12(5-2)16-11/h1,9H,5-8,10H2,2-3H3
InChIKeyFBQQPOQSMGLPRG-UHFFFAOYSA-N
XLogP1.79
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-Chloro-1,3-thiazol-5-yl)methyl]-2,6-dimethylmorpholine
CID 3802992
Ethyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetate
CID 53520820
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 53553124
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
CID 72043646
4-[[2-(2-Fluoroethynyl)-1,3-thiazol-5-yl]methyl]morpholine
CID 143305266
4-[(2-Chloro-1,3-thiazol-5-yl)methyl]morpholine
CID 2764390
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 55260490
Methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetate
CID 72106116
2-(2,2-difluoroethoxy)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 103081140
2-(2,2-difluoroethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 103081221
N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 103476025
2-[(2-Methyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103857858

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2-prop-2-ynoxyethanamine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2-prop-2-ynoxyethanamine (CID 138032714) is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2-prop-2-ynoxyethanamine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2-prop-2-ynoxyethanamine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2-prop-2-ynoxyethanamine is C#CCOCCN(C)Cc1cnc(CC)s1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2-prop-2-ynoxyethanamine?
The InChIKey is FBQQPOQSMGLPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-4-7-15-8-6-14(3)10-11-9-13-12(5-2)16-11/h1,9H,5-8,10H2,2-3H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2-prop-2-ynoxyethanamine?
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2-prop-2-ynoxyethanamine has a molecular weight of 238.36 g/mol, XLogP of 1.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2-prop-2-ynoxyethanamine is sourced from PubChem (CID 138032714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).