2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyacetaldehyde

C5H6N2O2S — CID 54337328

IUPAC2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyacetaldehyde
SMILESNc1nc(C(O)C=O)cs1
InChIInChI=1S/C5H6N2O2S/c6-5-7-3(2-10-5)4(9)1-8/h1-2,4,9H,(H2,6,7)
InChIKeyJATZWCDMRPMTLK-UHFFFAOYSA-N
MW158.18 g/mol
LogP-0.04
Rot. Bonds2

About 2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyacetaldehyde

2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyacetaldehyde (PubChem CID 54337328) has the molecular formula C5H6N2O2S and a molecular weight of 158.18 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyacetaldehyde.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyacetaldehyde
PubChem CID54337328
Molecular FormulaC5H6N2O2S
Molecular Weight158.18 g/mol
Exact Mass158.01
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyacetaldehyde
SMILESNc1nc(C(O)C=O)cs1
InChIInChI=1S/C5H6N2O2S/c6-5-7-3(2-10-5)4(9)1-8/h1-2,4,9H,(H2,6,7)
InChIKeyJATZWCDMRPMTLK-UHFFFAOYSA-N
XLogP-0.04
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(1-aminoethyl)-1,3-thiazol-2-amine
CID 64545491
4-(2,4-dimethylpentan-3-yl)-1,3-thiazol-2-amine
CID 130517444
4-(3-methylbutan-2-yl)-1,3-thiazol-2-amine
CID 58125052
2-(2-amino-1,3-thiazol-4-yl)-3-hydroxypentanedioic acid
CID 88674415
chloro 2-(2-amino-1,3-thiazol-4-yl)butanoate
CID 174643774
2-(2-amino-1,3-thiazol-4-yl)-2-methoxyacetic acid
CID 13490301
4-(1-aminopropyl)-1,3-thiazol-2-amine
CID 82415862
4-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 64543676
2-(2-amino-1,3-thiazol-4-yl)-3-(2-oxoethylideneamino)oxypropanoic acid
CID 54442886
1-bromo-3-methylbutan-2-one;4-propan-2-yl-1,3-thiazol-2-amine
CID 87581796
(2-amino-1,3-thiazol-4-yl)-(4,6-dimethylpyrimidin-2-yl)methanethiol
CID 22299017
2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetaldehyde;methanol
CID 145366322

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyacetaldehyde?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyacetaldehyde (CID 54337328) is 2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyacetaldehyde.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyacetaldehyde?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyacetaldehyde is Nc1nc(C(O)C=O)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyacetaldehyde?
The InChIKey is JATZWCDMRPMTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S/c6-5-7-3(2-10-5)4(9)1-8/h1-2,4,9H,(H2,6,7).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyacetaldehyde?
2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyacetaldehyde has a molecular weight of 158.18 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyacetaldehyde is sourced from PubChem (CID 54337328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).