2-(1,3-thiazol-2-ylamino)acetaldehyde

C5H6N2OS — CID 76551851

IUPAC2-(1,3-thiazol-2-ylamino)acetaldehyde
SMILESO=CCNc1nccs1
InChIInChI=1S/C5H6N2OS/c8-3-1-6-5-7-2-4-9-5/h2-4H,1H2,(H,6,7)
InChIKeySEAMGFDXWLGSHY-UHFFFAOYSA-N
MW142.18 g/mol
LogP0.75
Rot. Bonds3

About 2-(1,3-thiazol-2-ylamino)acetaldehyde

2-(1,3-thiazol-2-ylamino)acetaldehyde (PubChem CID 76551851) has the molecular formula C5H6N2OS and a molecular weight of 142.18 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-ylamino)acetaldehyde.

Molecular Properties

Compound Name2-(1,3-thiazol-2-ylamino)acetaldehyde
PubChem CID76551851
Molecular FormulaC5H6N2OS
Molecular Weight142.18 g/mol
Exact Mass142.02
IUPAC Name2-(1,3-thiazol-2-ylamino)acetaldehyde
SMILESO=CCNc1nccs1
InChIInChI=1S/C5H6N2OS/c8-3-1-6-5-7-2-4-9-5/h2-4H,1H2,(H,6,7)
InChIKeySEAMGFDXWLGSHY-UHFFFAOYSA-N
XLogP0.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2E)-3-fluoropenta-2,4-dienyl]-1,3-thiazol-2-amine
CID 135175993
CID 59694819
CID 59694819
2-(1,3-thiazol-2-ylamino)ethanethiol
CID 88739405
2-oxoethyl N-(1,3-thiazol-2-yl)carbamodithioate
CID 130012413
acetylene;propane;N-(1,3-thiazol-2-yl)formamide
CID 143752029
N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 4711878
N-(2-chloropropyl)-1,3-thiazol-2-amine
CID 65027252
methyl 3-(1,3-thiazol-2-ylamino)propanoate
CID 60658875
N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 29276059
1-(1,3-thiazol-2-ylamino)propan-2-ol
CID 43392072
tert-butyl N-[2-(1,3-thiazol-2-ylamino)ethyl]carbamate
CID 115595638
N-(2-acetamidoethyl)-2-(1,3-thiazol-2-ylamino)acetamide
CID 110694057

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-ylamino)acetaldehyde?
The IUPAC name of 2-(1,3-thiazol-2-ylamino)acetaldehyde (CID 76551851) is 2-(1,3-thiazol-2-ylamino)acetaldehyde.
What is the SMILES notation for 2-(1,3-thiazol-2-ylamino)acetaldehyde?
The canonical SMILES for 2-(1,3-thiazol-2-ylamino)acetaldehyde is O=CCNc1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-ylamino)acetaldehyde?
The InChIKey is SEAMGFDXWLGSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS/c8-3-1-6-5-7-2-4-9-5/h2-4H,1H2,(H,6,7).
What are the key properties of 2-(1,3-thiazol-2-ylamino)acetaldehyde?
2-(1,3-thiazol-2-ylamino)acetaldehyde has a molecular weight of 142.18 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-ylamino)acetaldehyde is sourced from PubChem (CID 76551851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).