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

C8H5ClFN3S2 — CID 79075706

IUPAC2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-thiazole
SMILESCc1csc(Sc2nc(Cl)ncc2F)n1
InChIInChI=1S/C8H5ClFN3S2/c1-4-3-14-8(12-4)15-6-5(10)2-11-7(9)13-6/h2-3H,1H3
InChIKeyKRCNHXBBNYDRKS-UHFFFAOYSA-N
MW261.73 g/mol
LogP3.19
Rot. Bonds2

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

2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-thiazole (PubChem CID 79075706) has the molecular formula C8H5ClFN3S2 and a molecular weight of 261.73 g/mol. Its IUPAC name is 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-thiazole
PubChem CID79075706
Molecular FormulaC8H5ClFN3S2
Molecular Weight261.73 g/mol
Exact Mass260.96
IUPAC Name2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-thiazole
SMILESCc1csc(Sc2nc(Cl)ncc2F)n1
InChIInChI=1S/C8H5ClFN3S2/c1-4-3-14-8(12-4)15-6-5(10)2-11-7(9)13-6/h2-3H,1H3
InChIKeyKRCNHXBBNYDRKS-UHFFFAOYSA-N
XLogP3.19
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-thiazole?
The IUPAC name of 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-thiazole (CID 79075706) is 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-thiazole is Cc1csc(Sc2nc(Cl)ncc2F)n1.
What is the InChIKey of 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-thiazole?
The InChIKey is KRCNHXBBNYDRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFN3S2/c1-4-3-14-8(12-4)15-6-5(10)2-11-7(9)13-6/h2-3H,1H3.
What are the key properties of 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-thiazole?
2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-thiazole has a molecular weight of 261.73 g/mol, XLogP of 3.19, 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-4-methyl-1,3-thiazole is sourced from PubChem (CID 79075706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).