N'-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboximidamide

C7H8N4O2S — CID 2739514

IUPACN'-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboximidamide
SMILESNC(=NO)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C7H8N4O2S/c8-5(10-13)4-3-9-7-11(6(4)12)1-2-14-7/h3,13H,1-2H2,(H2,8,10)
InChIKeyHKRLUKTYNHNNNP-UHFFFAOYSA-N
MW212.23 g/mol
LogP-0.56
Rot. Bonds1

About N'-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboximidamide

N'-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboximidamide (PubChem CID 2739514) has the molecular formula C7H8N4O2S and a molecular weight of 212.23 g/mol. Its IUPAC name is N'-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboximidamide
PubChem CID2739514
Molecular FormulaC7H8N4O2S
Molecular Weight212.23 g/mol
Exact Mass212.04
IUPAC NameN'-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboximidamide
SMILESNC(=NO)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C7H8N4O2S/c8-5(10-13)4-3-9-7-11(6(4)12)1-2-14-7/h3,13H,1-2H2,(H2,8,10)
InChIKeyHKRLUKTYNHNNNP-UHFFFAOYSA-N
XLogP-0.56
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboximidamide?
The IUPAC name of N'-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboximidamide (CID 2739514) is N'-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboximidamide?
The canonical SMILES for N'-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboximidamide is NC(=NO)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N'-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboximidamide?
The InChIKey is HKRLUKTYNHNNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2S/c8-5(10-13)4-3-9-7-11(6(4)12)1-2-14-7/h3,13H,1-2H2,(H2,8,10).
What are the key properties of N'-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboximidamide?
N'-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboximidamide has a molecular weight of 212.23 g/mol, XLogP of -0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboximidamide is sourced from PubChem (CID 2739514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).