4-(5-chloro-1-benzofuran-2-yl)-2-pyrazin-2-yl-1,3-thiazole

C15H8ClN3OS — CID 47061944

IUPAC4-(5-chloro-1-benzofuran-2-yl)-2-pyrazin-2-yl-1,3-thiazole
SMILESClc1ccc2oc(-c3csc(-c4cnccn4)n3)cc2c1
InChIInChI=1S/C15H8ClN3OS/c16-10-1-2-13-9(5-10)6-14(20-13)12-8-21-15(19-12)11-7-17-3-4-18-11/h1-8H
InChIKeyYYBPTXZRYAERBU-UHFFFAOYSA-N
MW313.77 g/mol
LogP4.67
Rot. Bonds2

About 4-(5-chloro-1-benzofuran-2-yl)-2-pyrazin-2-yl-1,3-thiazole

4-(5-chloro-1-benzofuran-2-yl)-2-pyrazin-2-yl-1,3-thiazole (PubChem CID 47061944) has the molecular formula C15H8ClN3OS and a molecular weight of 313.77 g/mol. Its IUPAC name is 4-(5-chloro-1-benzofuran-2-yl)-2-pyrazin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(5-chloro-1-benzofuran-2-yl)-2-pyrazin-2-yl-1,3-thiazole
PubChem CID47061944
Molecular FormulaC15H8ClN3OS
Molecular Weight313.77 g/mol
Exact Mass313.01
IUPAC Name4-(5-chloro-1-benzofuran-2-yl)-2-pyrazin-2-yl-1,3-thiazole
SMILESClc1ccc2oc(-c3csc(-c4cnccn4)n3)cc2c1
InChIInChI=1S/C15H8ClN3OS/c16-10-1-2-13-9(5-10)6-14(20-13)12-8-21-15(19-12)11-7-17-3-4-18-11/h1-8H
InChIKeyYYBPTXZRYAERBU-UHFFFAOYSA-N
XLogP4.67
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.77
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-chloro-1-benzofuran-2-yl)-2-(1,3-thiazol-2-yl)-1,3-thiazole
CID 164723777
6-(5-chloro-1-benzofuran-2-yl)pyrazin-2-amine
CID 114734745
4-(5-chloro-1-benzofuran-2-yl)-2-(methylsulfonylmethyl)-1,3-thiazole
CID 71930204
4-(chloromethyl)-2-pyrazin-2-yl-1,3-thiazole
CID 23025076
6-(5-chloro-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734697
N-[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]propanamide
CID 25470108
4-(5-chloro-1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine bromide
CID 45108453
4-chloro-2-(5-methyl-1-benzofuran-2-yl)pyridine
CID 102825203
1-[(4-chlorophenyl)methyl]-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 3858700
6-chloro-3-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]chromen-2-one
CID 2307482
2-[(2,4-dichlorophenoxy)methyl]-4-pyrazin-2-yl-1,3-thiazole
CID 14068301
2-chloro-4-(5-chloro-1-benzofuran-2-yl)-6-methylpyrimidine
CID 114734206

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1-benzofuran-2-yl)-2-pyrazin-2-yl-1,3-thiazole?
The IUPAC name of 4-(5-chloro-1-benzofuran-2-yl)-2-pyrazin-2-yl-1,3-thiazole (CID 47061944) is 4-(5-chloro-1-benzofuran-2-yl)-2-pyrazin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(5-chloro-1-benzofuran-2-yl)-2-pyrazin-2-yl-1,3-thiazole?
The canonical SMILES for 4-(5-chloro-1-benzofuran-2-yl)-2-pyrazin-2-yl-1,3-thiazole is Clc1ccc2oc(-c3csc(-c4cnccn4)n3)cc2c1.
What is the InChIKey of 4-(5-chloro-1-benzofuran-2-yl)-2-pyrazin-2-yl-1,3-thiazole?
The InChIKey is YYBPTXZRYAERBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClN3OS/c16-10-1-2-13-9(5-10)6-14(20-13)12-8-21-15(19-12)11-7-17-3-4-18-11/h1-8H.
What are the key properties of 4-(5-chloro-1-benzofuran-2-yl)-2-pyrazin-2-yl-1,3-thiazole?
4-(5-chloro-1-benzofuran-2-yl)-2-pyrazin-2-yl-1,3-thiazole has a molecular weight of 313.77 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1-benzofuran-2-yl)-2-pyrazin-2-yl-1,3-thiazole is sourced from PubChem (CID 47061944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).