2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-thiazole

C7H3ClFN3S2 — CID 79076834

IUPAC2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-thiazole
SMILESFc1cnc(Cl)nc1Sc1nccs1
InChIInChI=1S/C7H3ClFN3S2/c8-6-11-3-4(9)5(12-6)14-7-10-1-2-13-7/h1-3H
InChIKeyMNHVPCSCFYZCTD-UHFFFAOYSA-N
MW247.71 g/mol
LogP2.88
Rot. Bonds2

About 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-thiazole

2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-thiazole (PubChem CID 79076834) has the molecular formula C7H3ClFN3S2 and a molecular weight of 247.71 g/mol. Its IUPAC name is 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-thiazole
PubChem CID79076834
Molecular FormulaC7H3ClFN3S2
Molecular Weight247.71 g/mol
Exact Mass246.94
IUPAC Name2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-thiazole
SMILESFc1cnc(Cl)nc1Sc1nccs1
InChIInChI=1S/C7H3ClFN3S2/c8-6-11-3-4(9)5(12-6)14-7-10-1-2-13-7/h1-3H
InChIKeyMNHVPCSCFYZCTD-UHFFFAOYSA-N
XLogP2.88
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.71
LogP ≤ 52.88
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-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-thiazole?
The IUPAC name of 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-thiazole (CID 79076834) is 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-thiazole.
What is the SMILES notation for 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-thiazole?
The canonical SMILES for 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-thiazole is Fc1cnc(Cl)nc1Sc1nccs1.
What is the InChIKey of 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-thiazole?
The InChIKey is MNHVPCSCFYZCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClFN3S2/c8-6-11-3-4(9)5(12-6)14-7-10-1-2-13-7/h1-3H.
What are the key properties of 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-thiazole?
2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-thiazole has a molecular weight of 247.71 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-thiazole is sourced from PubChem (CID 79076834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).