5-[[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]methyl]-4-methyl-1,3-thiazole

C13H15ClN4OS — CID 172904957

IUPAC5-[[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CN1CC(COc2cncc(Cl)n2)C1
InChIInChI=1S/C13H15ClN4OS/c1-9-11(20-8-16-9)6-18-4-10(5-18)7-19-13-3-15-2-12(14)17-13/h2-3,8,10H,4-7H2,1H3
InChIKeyOYYDGMUCXPNLFG-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.41
Rot. Bonds5

About 5-[[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]methyl]-4-methyl-1,3-thiazole

5-[[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]methyl]-4-methyl-1,3-thiazole (PubChem CID 172904957) has the molecular formula C13H15ClN4OS and a molecular weight of 310.81 g/mol. Its IUPAC name is 5-[[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]methyl]-4-methyl-1,3-thiazole
PubChem CID172904957
Molecular FormulaC13H15ClN4OS
Molecular Weight310.81 g/mol
Exact Mass310.07
IUPAC Name5-[[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CN1CC(COc2cncc(Cl)n2)C1
InChIInChI=1S/C13H15ClN4OS/c1-9-11(20-8-16-9)6-18-4-10(5-18)7-19-13-3-15-2-12(14)17-13/h2-3,8,10H,4-7H2,1H3
InChIKeyOYYDGMUCXPNLFG-UHFFFAOYSA-N
XLogP2.41
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]methyl]-4-methyl-1,3-thiazole (CID 172904957) is 5-[[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]methyl]-4-methyl-1,3-thiazole is Cc1ncsc1CN1CC(COc2cncc(Cl)n2)C1.
What is the InChIKey of 5-[[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]methyl]-4-methyl-1,3-thiazole?
The InChIKey is OYYDGMUCXPNLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4OS/c1-9-11(20-8-16-9)6-18-4-10(5-18)7-19-13-3-15-2-12(14)17-13/h2-3,8,10H,4-7H2,1H3.
What are the key properties of 5-[[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]methyl]-4-methyl-1,3-thiazole?
5-[[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]methyl]-4-methyl-1,3-thiazole has a molecular weight of 310.81 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 172904957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).