2-(furan-2-yl)-4-[(1-methylimidazol-2-yl)sulfonylmethyl]-1,3-thiazole

C12H11N3O3S2 — CID 87010407

IUPAC2-(furan-2-yl)-4-[(1-methylimidazol-2-yl)sulfonylmethyl]-1,3-thiazole
SMILESCn1ccnc1S(=O)(=O)Cc1csc(-c2ccco2)n1
InChIInChI=1S/C12H11N3O3S2/c1-15-5-4-13-12(15)20(16,17)8-9-7-19-11(14-9)10-3-2-6-18-10/h2-7H,8H2,1H3
InChIKeyPWLZRAYIRABENP-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.11
Rot. Bonds4

About 2-(furan-2-yl)-4-[(1-methylimidazol-2-yl)sulfonylmethyl]-1,3-thiazole

2-(furan-2-yl)-4-[(1-methylimidazol-2-yl)sulfonylmethyl]-1,3-thiazole (PubChem CID 87010407) has the molecular formula C12H11N3O3S2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-[(1-methylimidazol-2-yl)sulfonylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-4-[(1-methylimidazol-2-yl)sulfonylmethyl]-1,3-thiazole
PubChem CID87010407
Molecular FormulaC12H11N3O3S2
Molecular Weight309.37 g/mol
Exact Mass309.02
IUPAC Name2-(furan-2-yl)-4-[(1-methylimidazol-2-yl)sulfonylmethyl]-1,3-thiazole
SMILESCn1ccnc1S(=O)(=O)Cc1csc(-c2ccco2)n1
InChIInChI=1S/C12H11N3O3S2/c1-15-5-4-13-12(15)20(16,17)8-9-7-19-11(14-9)10-3-2-6-18-10/h2-7H,8H2,1H3
InChIKeyPWLZRAYIRABENP-UHFFFAOYSA-N
XLogP2.11
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(furan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole
CID 86921500
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfonyl]-N,N-di(propan-2-yl)acetamide
CID 86926139
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetohydrazide
CID 43132204
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]ethanamine
CID 43249527
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide
CID 86917359
3-[[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 134033856
4-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]benzenesulfonamide
CID 78877693
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine
CID 120775782
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43573534
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79371085
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-N-propylpropan-1-amine
CID 86989378

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-[(1-methylimidazol-2-yl)sulfonylmethyl]-1,3-thiazole?
The IUPAC name of 2-(furan-2-yl)-4-[(1-methylimidazol-2-yl)sulfonylmethyl]-1,3-thiazole (CID 87010407) is 2-(furan-2-yl)-4-[(1-methylimidazol-2-yl)sulfonylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-(furan-2-yl)-4-[(1-methylimidazol-2-yl)sulfonylmethyl]-1,3-thiazole?
The canonical SMILES for 2-(furan-2-yl)-4-[(1-methylimidazol-2-yl)sulfonylmethyl]-1,3-thiazole is Cn1ccnc1S(=O)(=O)Cc1csc(-c2ccco2)n1.
What is the InChIKey of 2-(furan-2-yl)-4-[(1-methylimidazol-2-yl)sulfonylmethyl]-1,3-thiazole?
The InChIKey is PWLZRAYIRABENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S2/c1-15-5-4-13-12(15)20(16,17)8-9-7-19-11(14-9)10-3-2-6-18-10/h2-7H,8H2,1H3.
What are the key properties of 2-(furan-2-yl)-4-[(1-methylimidazol-2-yl)sulfonylmethyl]-1,3-thiazole?
2-(furan-2-yl)-4-[(1-methylimidazol-2-yl)sulfonylmethyl]-1,3-thiazole has a molecular weight of 309.37 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-[(1-methylimidazol-2-yl)sulfonylmethyl]-1,3-thiazole is sourced from PubChem (CID 87010407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).