[2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]methanamine

C8H8N4S2 — CID 107552301

IUPAC[2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]methanamine
SMILESNCc1ccnc(Sc2nccs2)n1
InChIInChI=1S/C8H8N4S2/c9-5-6-1-2-10-7(12-6)14-8-11-3-4-13-8/h1-4H,5,9H2
InChIKeyXBCBMPGAJHZVPC-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.54
Rot. Bonds3

About [2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]methanamine

[2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]methanamine (PubChem CID 107552301) has the molecular formula C8H8N4S2 and a molecular weight of 224.31 g/mol. Its IUPAC name is [2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]methanamine
PubChem CID107552301
Molecular FormulaC8H8N4S2
Molecular Weight224.31 g/mol
Exact Mass224.02
IUPAC Name[2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]methanamine
SMILESNCc1ccnc(Sc2nccs2)n1
InChIInChI=1S/C8H8N4S2/c9-5-6-1-2-10-7(12-6)14-8-11-3-4-13-8/h1-4H,5,9H2
InChIKeyXBCBMPGAJHZVPC-UHFFFAOYSA-N
XLogP1.54
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]methanamine?
The IUPAC name of [2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]methanamine (CID 107552301) is [2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]methanamine is NCc1ccnc(Sc2nccs2)n1.
What is the InChIKey of [2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]methanamine?
The InChIKey is XBCBMPGAJHZVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S2/c9-5-6-1-2-10-7(12-6)14-8-11-3-4-13-8/h1-4H,5,9H2.
What are the key properties of [2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]methanamine?
[2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]methanamine has a molecular weight of 224.31 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 107552301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).