pyrimidine-5-carboxamide;1,3-thiazol-4-amine

C8H9N5OS — CID 66611050

IUPACpyrimidine-5-carboxamide;1,3-thiazol-4-amine
SMILESNC(=O)c1cncnc1.Nc1cscn1
InChIInChI=1S/C5H5N3O.C3H4N2S/c6-5(9)4-1-7-3-8-2-4;4-3-1-6-2-5-3/h1-3H,(H2,6,9);1-2H,4H2
InChIKeyUAQIWZFOVXCYBW-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.30
Rot. Bonds1

About pyrimidine-5-carboxamide;1,3-thiazol-4-amine

pyrimidine-5-carboxamide;1,3-thiazol-4-amine (PubChem CID 66611050) has the molecular formula C8H9N5OS and a molecular weight of 223.26 g/mol. Its IUPAC name is pyrimidine-5-carboxamide;1,3-thiazol-4-amine.

Molecular Properties

Compound Namepyrimidine-5-carboxamide;1,3-thiazol-4-amine
PubChem CID66611050
Molecular FormulaC8H9N5OS
Molecular Weight223.26 g/mol
Exact Mass223.05
IUPAC Namepyrimidine-5-carboxamide;1,3-thiazol-4-amine
SMILESNC(=O)c1cncnc1.Nc1cscn1
InChIInChI=1S/C5H5N3O.C3H4N2S/c6-5(9)4-1-7-3-8-2-4;4-3-1-6-2-5-3/h1-3H,(H2,6,9);1-2H,4H2
InChIKeyUAQIWZFOVXCYBW-UHFFFAOYSA-N
XLogP0.30
TPSA107.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of pyrimidine-5-carboxamide;1,3-thiazol-4-amine?
The IUPAC name of pyrimidine-5-carboxamide;1,3-thiazol-4-amine (CID 66611050) is pyrimidine-5-carboxamide;1,3-thiazol-4-amine.
What is the SMILES notation for pyrimidine-5-carboxamide;1,3-thiazol-4-amine?
The canonical SMILES for pyrimidine-5-carboxamide;1,3-thiazol-4-amine is NC(=O)c1cncnc1.Nc1cscn1.
What is the InChIKey of pyrimidine-5-carboxamide;1,3-thiazol-4-amine?
The InChIKey is UAQIWZFOVXCYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O.C3H4N2S/c6-5(9)4-1-7-3-8-2-4;4-3-1-6-2-5-3/h1-3H,(H2,6,9);1-2H,4H2.
What are the key properties of pyrimidine-5-carboxamide;1,3-thiazol-4-amine?
pyrimidine-5-carboxamide;1,3-thiazol-4-amine has a molecular weight of 223.26 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidine-5-carboxamide;1,3-thiazol-4-amine is sourced from PubChem (CID 66611050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).