[carbamoyl(1,3-thiazol-2-yl)amino] dihydrogen phosphate

C4H6N3O5PS — CID 123566784

IUPAC[carbamoyl(1,3-thiazol-2-yl)amino] dihydrogen phosphate
SMILESNC(=O)N(OP(=O)(O)O)c1nccs1
InChIInChI=1S/C4H6N3O5PS/c5-3(8)7(12-13(9,10)11)4-6-1-2-14-4/h1-2H,(H2,5,8)(H2,9,10,11)
InChIKeyNLOANGYLDQZECQ-UHFFFAOYSA-N
MW239.15 g/mol
LogP0.05
Rot. Bonds3

About [carbamoyl(1,3-thiazol-2-yl)amino] dihydrogen phosphate

[carbamoyl(1,3-thiazol-2-yl)amino] dihydrogen phosphate (PubChem CID 123566784) has the molecular formula C4H6N3O5PS and a molecular weight of 239.15 g/mol. Its IUPAC name is [carbamoyl(1,3-thiazol-2-yl)amino] dihydrogen phosphate.

Molecular Properties

Compound Name[carbamoyl(1,3-thiazol-2-yl)amino] dihydrogen phosphate
PubChem CID123566784
Molecular FormulaC4H6N3O5PS
Molecular Weight239.15 g/mol
Exact Mass238.98
IUPAC Name[carbamoyl(1,3-thiazol-2-yl)amino] dihydrogen phosphate
SMILESNC(=O)N(OP(=O)(O)O)c1nccs1
InChIInChI=1S/C4H6N3O5PS/c5-3(8)7(12-13(9,10)11)4-6-1-2-14-4/h1-2H,(H2,5,8)(H2,9,10,11)
InChIKeyNLOANGYLDQZECQ-UHFFFAOYSA-N
XLogP0.05
TPSA125.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [carbamoyl(1,3-thiazol-2-yl)amino] dihydrogen phosphate?
The IUPAC name of [carbamoyl(1,3-thiazol-2-yl)amino] dihydrogen phosphate (CID 123566784) is [carbamoyl(1,3-thiazol-2-yl)amino] dihydrogen phosphate.
What is the SMILES notation for [carbamoyl(1,3-thiazol-2-yl)amino] dihydrogen phosphate?
The canonical SMILES for [carbamoyl(1,3-thiazol-2-yl)amino] dihydrogen phosphate is NC(=O)N(OP(=O)(O)O)c1nccs1.
What is the InChIKey of [carbamoyl(1,3-thiazol-2-yl)amino] dihydrogen phosphate?
The InChIKey is NLOANGYLDQZECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N3O5PS/c5-3(8)7(12-13(9,10)11)4-6-1-2-14-4/h1-2H,(H2,5,8)(H2,9,10,11).
What are the key properties of [carbamoyl(1,3-thiazol-2-yl)amino] dihydrogen phosphate?
[carbamoyl(1,3-thiazol-2-yl)amino] dihydrogen phosphate has a molecular weight of 239.15 g/mol, XLogP of 0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [carbamoyl(1,3-thiazol-2-yl)amino] dihydrogen phosphate is sourced from PubChem (CID 123566784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).