N-[4-[(carbamothioylhydrazinylidene)methyl]-6-oxo-1H-pyrimidin-2-yl]acetamide

C8H10N6O2S — CID 135458554

IUPACN-[4-[(carbamothioylhydrazinylidene)methyl]-6-oxo-1H-pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nc(C=NNC(N)=S)cc(=O)[nH]1
InChIInChI=1S/C8H10N6O2S/c1-4(15)11-8-12-5(2-6(16)13-8)3-10-14-7(9)17/h2-3H,1H3,(H3,9,14,17)(H2,11,12,13,15,16)
InChIKeyKILGYNUMWJRJRS-UHFFFAOYSA-N
MW254.28 g/mol
LogP-1.10
Rot. Bonds3

About N-[4-[(carbamothioylhydrazinylidene)methyl]-6-oxo-1H-pyrimidin-2-yl]acetamide

N-[4-[(carbamothioylhydrazinylidene)methyl]-6-oxo-1H-pyrimidin-2-yl]acetamide (PubChem CID 135458554) has the molecular formula C8H10N6O2S and a molecular weight of 254.28 g/mol. Its IUPAC name is N-[4-[(carbamothioylhydrazinylidene)methyl]-6-oxo-1H-pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(carbamothioylhydrazinylidene)methyl]-6-oxo-1H-pyrimidin-2-yl]acetamide
PubChem CID135458554
Molecular FormulaC8H10N6O2S
Molecular Weight254.28 g/mol
Exact Mass254.06
IUPAC NameN-[4-[(carbamothioylhydrazinylidene)methyl]-6-oxo-1H-pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nc(C=NNC(N)=S)cc(=O)[nH]1
InChIInChI=1S/C8H10N6O2S/c1-4(15)11-8-12-5(2-6(16)13-8)3-10-14-7(9)17/h2-3H,1H3,(H3,9,14,17)(H2,11,12,13,15,16)
InChIKeyKILGYNUMWJRJRS-UHFFFAOYSA-N
XLogP-1.10
TPSA125.26 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(carbamothioylhydrazinylidene)methyl]-6-oxo-1H-pyrimidin-2-yl]acetamide?
The IUPAC name of N-[4-[(carbamothioylhydrazinylidene)methyl]-6-oxo-1H-pyrimidin-2-yl]acetamide (CID 135458554) is N-[4-[(carbamothioylhydrazinylidene)methyl]-6-oxo-1H-pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[4-[(carbamothioylhydrazinylidene)methyl]-6-oxo-1H-pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[4-[(carbamothioylhydrazinylidene)methyl]-6-oxo-1H-pyrimidin-2-yl]acetamide is CC(=O)Nc1nc(C=NNC(N)=S)cc(=O)[nH]1.
What is the InChIKey of N-[4-[(carbamothioylhydrazinylidene)methyl]-6-oxo-1H-pyrimidin-2-yl]acetamide?
The InChIKey is KILGYNUMWJRJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O2S/c1-4(15)11-8-12-5(2-6(16)13-8)3-10-14-7(9)17/h2-3H,1H3,(H3,9,14,17)(H2,11,12,13,15,16).
What are the key properties of N-[4-[(carbamothioylhydrazinylidene)methyl]-6-oxo-1H-pyrimidin-2-yl]acetamide?
N-[4-[(carbamothioylhydrazinylidene)methyl]-6-oxo-1H-pyrimidin-2-yl]acetamide has a molecular weight of 254.28 g/mol, XLogP of -1.10, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(carbamothioylhydrazinylidene)methyl]-6-oxo-1H-pyrimidin-2-yl]acetamide is sourced from PubChem (CID 135458554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).