4-(6-chloro-1-benzofuran-2-yl)-2-(1,3-thiazol-2-yl)-1,3-thiazole

C14H7ClN2OS2 — CID 164723777

IUPAC4-(6-chloro-1-benzofuran-2-yl)-2-(1,3-thiazol-2-yl)-1,3-thiazole
SMILESClc1ccc2cc(-c3csc(-c4nccs4)n3)oc2c1
InChIInChI=1S/C14H7ClN2OS2/c15-9-2-1-8-5-12(18-11(8)6-9)10-7-20-14(17-10)13-16-3-4-19-13/h1-7H
InChIKeyKHPTTYRMGXSGAE-UHFFFAOYSA-N
MW318.81 g/mol
LogP5.33
Rot. Bonds2

About 4-(6-chloro-1-benzofuran-2-yl)-2-(1,3-thiazol-2-yl)-1,3-thiazole

4-(6-chloro-1-benzofuran-2-yl)-2-(1,3-thiazol-2-yl)-1,3-thiazole (PubChem CID 164723777) has the molecular formula C14H7ClN2OS2 and a molecular weight of 318.81 g/mol. Its IUPAC name is 4-(6-chloro-1-benzofuran-2-yl)-2-(1,3-thiazol-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(6-chloro-1-benzofuran-2-yl)-2-(1,3-thiazol-2-yl)-1,3-thiazole
PubChem CID164723777
Molecular FormulaC14H7ClN2OS2
Molecular Weight318.81 g/mol
Exact Mass317.97
IUPAC Name4-(6-chloro-1-benzofuran-2-yl)-2-(1,3-thiazol-2-yl)-1,3-thiazole
SMILESClc1ccc2cc(-c3csc(-c4nccs4)n3)oc2c1
InChIInChI=1S/C14H7ClN2OS2/c15-9-2-1-8-5-12(18-11(8)6-9)10-7-20-14(17-10)13-16-3-4-19-13/h1-7H
InChIKeyKHPTTYRMGXSGAE-UHFFFAOYSA-N
XLogP5.33
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.81
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-chloro-1-benzofuran-2-yl)-2-pyrazin-2-yl-1,3-thiazole
CID 47061944
3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(1,3-thiazol-2-yl)chromen-2-imine
CID 3537440
4-(1-benzofuran-2-yl)-2-(4-bromo-2-chlorophenyl)-1,3-thiazole
CID 146460725
4-(5-chloro-1-benzofuran-2-yl)-2-(methylsulfonylmethyl)-1,3-thiazole
CID 71930204
6-chloro-2-(3-chlorophenyl)-1-benzofuran
CID 134273119
4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]aniline
CID 43667812
4-(1-benzofuran-2-yl)-2-(furan-2-yl)-1,3-thiazole
CID 32500831
4-(6-chloro-1-benzofuran-2-yl)-1-methylpyridin-1-ium iodide
CID 23312255
5-(6-chloro-1-benzofuran-2-yl)-1H-pyrazol-4-amine
CID 115109572
N-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 163214642
2-(3-chlorophenyl)-1,3-thiazole
CID 23135786
2-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]benzene-1,3-diamine
CID 175739771

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1-benzofuran-2-yl)-2-(1,3-thiazol-2-yl)-1,3-thiazole?
The IUPAC name of 4-(6-chloro-1-benzofuran-2-yl)-2-(1,3-thiazol-2-yl)-1,3-thiazole (CID 164723777) is 4-(6-chloro-1-benzofuran-2-yl)-2-(1,3-thiazol-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(6-chloro-1-benzofuran-2-yl)-2-(1,3-thiazol-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(6-chloro-1-benzofuran-2-yl)-2-(1,3-thiazol-2-yl)-1,3-thiazole is Clc1ccc2cc(-c3csc(-c4nccs4)n3)oc2c1.
What is the InChIKey of 4-(6-chloro-1-benzofuran-2-yl)-2-(1,3-thiazol-2-yl)-1,3-thiazole?
The InChIKey is KHPTTYRMGXSGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClN2OS2/c15-9-2-1-8-5-12(18-11(8)6-9)10-7-20-14(17-10)13-16-3-4-19-13/h1-7H.
What are the key properties of 4-(6-chloro-1-benzofuran-2-yl)-2-(1,3-thiazol-2-yl)-1,3-thiazole?
4-(6-chloro-1-benzofuran-2-yl)-2-(1,3-thiazol-2-yl)-1,3-thiazole has a molecular weight of 318.81 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1-benzofuran-2-yl)-2-(1,3-thiazol-2-yl)-1,3-thiazole is sourced from PubChem (CID 164723777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).