pyrimidine;1,2-thiazol-3-amine

C7H8N4S — CID 175234268

IUPACpyrimidine;1,2-thiazol-3-amine
SMILESNc1ccsn1.c1cncnc1
InChIInChI=1S/C4H4N2.C3H4N2S/c1-2-5-4-6-3-1;4-3-1-2-6-5-3/h1-4H;1-2H,(H2,4,5)
InChIKeyMAALPTZVKLCORH-UHFFFAOYSA-N
MW180.24 g/mol
LogP1.20
Rot. Bonds

About pyrimidine;1,2-thiazol-3-amine

pyrimidine;1,2-thiazol-3-amine (PubChem CID 175234268) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is pyrimidine;1,2-thiazol-3-amine.

Molecular Properties

Compound Namepyrimidine;1,2-thiazol-3-amine
PubChem CID175234268
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC Namepyrimidine;1,2-thiazol-3-amine
SMILESNc1ccsn1.c1cncnc1
InChIInChI=1S/C4H4N2.C3H4N2S/c1-2-5-4-6-3-1;4-3-1-2-6-5-3/h1-4H;1-2H,(H2,4,5)
InChIKeyMAALPTZVKLCORH-UHFFFAOYSA-N
XLogP1.20
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyrimidine;1,2-thiazol-3-amine?
The IUPAC name of pyrimidine;1,2-thiazol-3-amine (CID 175234268) is pyrimidine;1,2-thiazol-3-amine.
What is the SMILES notation for pyrimidine;1,2-thiazol-3-amine?
The canonical SMILES for pyrimidine;1,2-thiazol-3-amine is Nc1ccsn1.c1cncnc1.
What is the InChIKey of pyrimidine;1,2-thiazol-3-amine?
The InChIKey is MAALPTZVKLCORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.C3H4N2S/c1-2-5-4-6-3-1;4-3-1-2-6-5-3/h1-4H;1-2H,(H2,4,5).
What are the key properties of pyrimidine;1,2-thiazol-3-amine?
pyrimidine;1,2-thiazol-3-amine has a molecular weight of 180.24 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidine;1,2-thiazol-3-amine is sourced from PubChem (CID 175234268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).