4-hydroxy-1H-imidazole-5-carbothioamide

C4H5N3OS — CID 2771460

IUPAC4-hydroxy-1H-imidazole-5-carbothioamide
SMILESNC(=S)c1[nH]cnc1O
InChIInChI=1S/C4H5N3OS/c5-3(9)2-4(8)7-1-6-2/h1,8H,(H2,5,9)(H,6,7)
InChIKeyIMTOYIQNFGNXGM-UHFFFAOYSA-N
MW143.17 g/mol
LogP-0.25
Rot. Bonds1

About 4-hydroxy-1H-imidazole-5-carbothioamide

4-hydroxy-1H-imidazole-5-carbothioamide (PubChem CID 2771460) has the molecular formula C4H5N3OS and a molecular weight of 143.17 g/mol. Its IUPAC name is 4-hydroxy-1H-imidazole-5-carbothioamide.

Molecular Properties

Compound Name4-hydroxy-1H-imidazole-5-carbothioamide
PubChem CID2771460
Molecular FormulaC4H5N3OS
Molecular Weight143.17 g/mol
Exact Mass143.02
IUPAC Name4-hydroxy-1H-imidazole-5-carbothioamide
SMILESNC(=S)c1[nH]cnc1O
InChIInChI=1S/C4H5N3OS/c5-3(9)2-4(8)7-1-6-2/h1,8H,(H2,5,9)(H,6,7)
InChIKeyIMTOYIQNFGNXGM-UHFFFAOYSA-N
XLogP-0.25
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.17
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-1H-imidazole-5-carbonitrile
CID 337100
4-methyl-1H-imidazol-5-ol
CID 54352844
5-(Aminomethylidene)imidazol-4-one
CID 135768762
5-(nitrosomethyl)-1H-imidazol-4-ol
CID 126578939
4-hydroxy-1H-imidazole-5-carboximidamide
CID 136203120
4-methoxy-1H-imidazole-5-carbothioamide
CID 12777246
methyl 4-hydroxy-1H-imidazole-5-carboximidothioate
CID 135778841
4-hydroxy-N'-methyl-1H-imidazole-5-carboximidamide
CID 135966161
N'-amino-4-hydroxy-1H-imidazole-5-carboximidamide
CID 136107897
4-hydroxy-N,N-dimethyl-1H-imidazole-5-carboximidamide
CID 137186200

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1H-imidazole-5-carbothioamide?
The IUPAC name of 4-hydroxy-1H-imidazole-5-carbothioamide (CID 2771460) is 4-hydroxy-1H-imidazole-5-carbothioamide.
What is the SMILES notation for 4-hydroxy-1H-imidazole-5-carbothioamide?
The canonical SMILES for 4-hydroxy-1H-imidazole-5-carbothioamide is NC(=S)c1[nH]cnc1O.
What is the InChIKey of 4-hydroxy-1H-imidazole-5-carbothioamide?
The InChIKey is IMTOYIQNFGNXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3OS/c5-3(9)2-4(8)7-1-6-2/h1,8H,(H2,5,9)(H,6,7).
What are the key properties of 4-hydroxy-1H-imidazole-5-carbothioamide?
4-hydroxy-1H-imidazole-5-carbothioamide has a molecular weight of 143.17 g/mol, XLogP of -0.25, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1H-imidazole-5-carbothioamide is sourced from PubChem (CID 2771460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).