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

C13H10ClNO3S2 — CID 71930204

IUPAC4-(5-chloro-1-benzofuran-2-yl)-2-(methylsulfonylmethyl)-1,3-thiazole
SMILESCS(=O)(=O)Cc1nc(-c2cc3cc(Cl)ccc3o2)cs1
InChIInChI=1S/C13H10ClNO3S2/c1-20(16,17)7-13-15-10(6-19-13)12-5-8-4-9(14)2-3-11(8)18-12/h2-6H,7H2,1H3
InChIKeyAYZLRCGCKVLNAA-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.75
Rot. Bonds3

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

4-(5-chloro-1-benzofuran-2-yl)-2-(methylsulfonylmethyl)-1,3-thiazole (PubChem CID 71930204) has the molecular formula C13H10ClNO3S2 and a molecular weight of 327.81 g/mol. Its IUPAC name is 4-(5-chloro-1-benzofuran-2-yl)-2-(methylsulfonylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(5-chloro-1-benzofuran-2-yl)-2-(methylsulfonylmethyl)-1,3-thiazole
PubChem CID71930204
Molecular FormulaC13H10ClNO3S2
Molecular Weight327.81 g/mol
Exact Mass326.98
IUPAC Name4-(5-chloro-1-benzofuran-2-yl)-2-(methylsulfonylmethyl)-1,3-thiazole
SMILESCS(=O)(=O)Cc1nc(-c2cc3cc(Cl)ccc3o2)cs1
InChIInChI=1S/C13H10ClNO3S2/c1-20(16,17)7-13-15-10(6-19-13)12-5-8-4-9(14)2-3-11(8)18-12/h2-6H,7H2,1H3
InChIKeyAYZLRCGCKVLNAA-UHFFFAOYSA-N
XLogP3.75
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]propanamide
CID 25470108
2-[[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 32617724
3-[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]aniline
CID 62474009
2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazole
CID 66972700
4-(5-chloro-1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine bromide
CID 45108453
4-(5-chloro-1-benzofuran-2-yl)-2-pyrazin-2-yl-1,3-thiazole
CID 47061944
2-chloro-4-(5-chloro-1-benzofuran-2-yl)-6-methylpyrimidine
CID 114734206
6-(5-chloro-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734697
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]acetamide
CID 51513875
6-(5-chloro-1-benzofuran-2-yl)pyrazin-2-amine
CID 114734745
6-chloro-3-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]chromen-2-one
CID 2307482
1-[5-[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]thiophen-3-yl]ethanone
CID 75421868

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1-benzofuran-2-yl)-2-(methylsulfonylmethyl)-1,3-thiazole?
The IUPAC name of 4-(5-chloro-1-benzofuran-2-yl)-2-(methylsulfonylmethyl)-1,3-thiazole (CID 71930204) is 4-(5-chloro-1-benzofuran-2-yl)-2-(methylsulfonylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-(5-chloro-1-benzofuran-2-yl)-2-(methylsulfonylmethyl)-1,3-thiazole?
The canonical SMILES for 4-(5-chloro-1-benzofuran-2-yl)-2-(methylsulfonylmethyl)-1,3-thiazole is CS(=O)(=O)Cc1nc(-c2cc3cc(Cl)ccc3o2)cs1.
What is the InChIKey of 4-(5-chloro-1-benzofuran-2-yl)-2-(methylsulfonylmethyl)-1,3-thiazole?
The InChIKey is AYZLRCGCKVLNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3S2/c1-20(16,17)7-13-15-10(6-19-13)12-5-8-4-9(14)2-3-11(8)18-12/h2-6H,7H2,1H3.
What are the key properties of 4-(5-chloro-1-benzofuran-2-yl)-2-(methylsulfonylmethyl)-1,3-thiazole?
4-(5-chloro-1-benzofuran-2-yl)-2-(methylsulfonylmethyl)-1,3-thiazole has a molecular weight of 327.81 g/mol, XLogP of 3.75, 3 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-(methylsulfonylmethyl)-1,3-thiazole is sourced from PubChem (CID 71930204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).