2-pyrimidin-2-ylsulfanyl-1,3-thiazole

C7H5N3S2 — CID 15637351

IUPAC2-pyrimidin-2-ylsulfanyl-1,3-thiazole
SMILESc1cnc(Sc2nccs2)nc1
InChIInChI=1S/C7H5N3S2/c1-2-8-6(9-3-1)12-7-10-4-5-11-7/h1-5H
InChIKeyLBFKGIKIRAOJMC-UHFFFAOYSA-N
MW195.27 g/mol
LogP2.08
Rot. Bonds2

About 2-pyrimidin-2-ylsulfanyl-1,3-thiazole

2-pyrimidin-2-ylsulfanyl-1,3-thiazole (PubChem CID 15637351) has the molecular formula C7H5N3S2 and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-pyrimidin-2-ylsulfanyl-1,3-thiazole.

Molecular Properties

Compound Name2-pyrimidin-2-ylsulfanyl-1,3-thiazole
PubChem CID15637351
Molecular FormulaC7H5N3S2
Molecular Weight195.27 g/mol
Exact Mass194.99
IUPAC Name2-pyrimidin-2-ylsulfanyl-1,3-thiazole
SMILESc1cnc(Sc2nccs2)nc1
InChIInChI=1S/C7H5N3S2/c1-2-8-6(9-3-1)12-7-10-4-5-11-7/h1-5H
InChIKeyLBFKGIKIRAOJMC-UHFFFAOYSA-N
XLogP2.08
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-pyrimidin-2-ylsulfanyl-1,3-thiazole?
The IUPAC name of 2-pyrimidin-2-ylsulfanyl-1,3-thiazole (CID 15637351) is 2-pyrimidin-2-ylsulfanyl-1,3-thiazole.
What is the SMILES notation for 2-pyrimidin-2-ylsulfanyl-1,3-thiazole?
The canonical SMILES for 2-pyrimidin-2-ylsulfanyl-1,3-thiazole is c1cnc(Sc2nccs2)nc1.
What is the InChIKey of 2-pyrimidin-2-ylsulfanyl-1,3-thiazole?
The InChIKey is LBFKGIKIRAOJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3S2/c1-2-8-6(9-3-1)12-7-10-4-5-11-7/h1-5H.
What are the key properties of 2-pyrimidin-2-ylsulfanyl-1,3-thiazole?
2-pyrimidin-2-ylsulfanyl-1,3-thiazole has a molecular weight of 195.27 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-ylsulfanyl-1,3-thiazole is sourced from PubChem (CID 15637351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).