2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetaldehyde

C8H12N2OS — CID 87610344

IUPAC2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetaldehyde
SMILESCC(c1nccs1)N(C)CC=O
InChIInChI=1S/C8H12N2OS/c1-7(10(2)4-5-11)8-9-3-6-12-8/h3,5-7H,4H2,1-2H3
InChIKeyHERRGQRFWHVBJG-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.33
Rot. Bonds4

About 2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetaldehyde

2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetaldehyde (PubChem CID 87610344) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetaldehyde.

Molecular Properties

Compound Name2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetaldehyde
PubChem CID87610344
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetaldehyde
SMILESCC(c1nccs1)N(C)CC=O
InChIInChI=1S/C8H12N2OS/c1-7(10(2)4-5-11)8-9-3-6-12-8/h3,5-7H,4H2,1-2H3
InChIKeyHERRGQRFWHVBJG-UHFFFAOYSA-N
XLogP1.33
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R)-N,N-dimethyl-1-(1,3-thiazol-2-yl)ethanamine
CID 86335348
2-[carboxymethyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetic acid
CID 65065646
N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]piperidin-3-amine
CID 64990579
1-cyclopropyl-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 116651463
(2S)-2-amino-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 96555462
2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]-N-pyrazin-2-ylacetamide
CID 50959762
N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
CID 77096662
tert-butyl 2-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]pyrrolidine-1-carboxylate
CID 71633264
(1S)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
CID 99934440
tert-butyl 2-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate
CID 71633252
1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 95758195
N-(piperidin-3-ylmethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine
CID 106624840

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetaldehyde?
The IUPAC name of 2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetaldehyde (CID 87610344) is 2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetaldehyde.
What is the SMILES notation for 2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetaldehyde?
The canonical SMILES for 2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetaldehyde is CC(c1nccs1)N(C)CC=O.
What is the InChIKey of 2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetaldehyde?
The InChIKey is HERRGQRFWHVBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-7(10(2)4-5-11)8-9-3-6-12-8/h3,5-7H,4H2,1-2H3.
What are the key properties of 2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetaldehyde?
2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetaldehyde has a molecular weight of 184.26 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetaldehyde is sourced from PubChem (CID 87610344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).