2-hydroxy-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide

C6H8N4O4S — CID 106171071

IUPAC2-hydroxy-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide
SMILESNC(=O)C(O)CNc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C6H8N4O4S/c7-5(12)3(11)1-8-6-9-2-4(15-6)10(13)14/h2-3,11H,1H2,(H2,7,12)(H,8,9)
InChIKeyHNLDYRCSXUBEQA-UHFFFAOYSA-N
MW232.22 g/mol
LogP-0.69
Rot. Bonds5

About 2-hydroxy-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide

2-hydroxy-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide (PubChem CID 106171071) has the molecular formula C6H8N4O4S and a molecular weight of 232.22 g/mol. Its IUPAC name is 2-hydroxy-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide
PubChem CID106171071
Molecular FormulaC6H8N4O4S
Molecular Weight232.22 g/mol
Exact Mass232.03
IUPAC Name2-hydroxy-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide
SMILESNC(=O)C(O)CNc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C6H8N4O4S/c7-5(12)3(11)1-8-6-9-2-4(15-6)10(13)14/h2-3,11H,1H2,(H2,7,12)(H,8,9)
InChIKeyHNLDYRCSXUBEQA-UHFFFAOYSA-N
XLogP-0.69
TPSA131.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-[(5-nitro-1,3-thiazol-2-yl)amino]butan-2-ol
CID 102771365
4-methyl-1-[(5-nitro-1,3-thiazol-2-yl)amino]pentan-2-ol
CID 107153381
4-[1-hydroxy-2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]phenol
CID 11601592
3-[(5-nitro-1,3-thiazol-2-yl)amino]propan-1-ol
CID 102770428
N,2-dimethyl-N'-(5-nitro-1,3-thiazol-2-yl)propane-1,3-diamine
CID 102771459
2-hydroxy-3-[(5-nitropyrimidin-2-yl)amino]propanamide
CID 106170845
N-(5-nitro-1,3-thiazol-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 102771295
1-[[(5-nitro-1,3-thiazol-2-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 102769964
N-(4-methylpentyl)-5-nitro-1,3-thiazol-2-amine
CID 102770556
1-(dimethylamino)-2-methyl-3-[(5-nitro-1,3-thiazol-2-yl)amino]propan-2-ol
CID 114149789
2-hydroxy-3-(1,3-thiazol-2-ylamino)propanamide
CID 106170836
N-(2-methylsulfanylethyl)-5-nitro-1,3-thiazol-2-amine
CID 102770820

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide?
The IUPAC name of 2-hydroxy-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide (CID 106171071) is 2-hydroxy-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide?
The canonical SMILES for 2-hydroxy-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide is NC(=O)C(O)CNc1ncc([N+](=O)[O-])s1.
What is the InChIKey of 2-hydroxy-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide?
The InChIKey is HNLDYRCSXUBEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O4S/c7-5(12)3(11)1-8-6-9-2-4(15-6)10(13)14/h2-3,11H,1H2,(H2,7,12)(H,8,9).
What are the key properties of 2-hydroxy-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide?
2-hydroxy-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide has a molecular weight of 232.22 g/mol, XLogP of -0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide is sourced from PubChem (CID 106171071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).