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

C15H13NO3S2 — CID 86921500

IUPAC2-(furan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole
SMILESCc1ccc(S(=O)(=O)Cc2csc(-c3ccco3)n2)cc1
InChIInChI=1S/C15H13NO3S2/c1-11-4-6-13(7-5-11)21(17,18)10-12-9-20-15(16-12)14-3-2-8-19-14/h2-9H,10H2,1H3
InChIKeyNLRRQWDJNNTIPG-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.69
Rot. Bonds4

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

2-(furan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole (PubChem CID 86921500) has the molecular formula C15H13NO3S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole
PubChem CID86921500
Molecular FormulaC15H13NO3S2
Molecular Weight319.41 g/mol
Exact Mass319.03
IUPAC Name2-(furan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole
SMILESCc1ccc(S(=O)(=O)Cc2csc(-c3ccco3)n2)cc1
InChIInChI=1S/C15H13NO3S2/c1-11-4-6-13(7-5-11)21(17,18)10-12-9-20-15(16-12)14-3-2-8-19-14/h2-9H,10H2,1H3
InChIKeyNLRRQWDJNNTIPG-UHFFFAOYSA-N
XLogP3.69
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-2-yl)-4-[(1-methylimidazol-2-yl)sulfonylmethyl]-1,3-thiazole
CID 87010407
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfonyl]-N,N-di(propan-2-yl)acetamide
CID 86926139
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-methyl-2-nitroaniline
CID 133389995
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
2-(furan-2-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole
CID 47142123
4-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]benzenesulfonamide
CID 78877693
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-N-propylpropan-1-amine
CID 86989378
N-(4-acetamidophenyl)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 31669164
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 24664742
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
CID 134033866
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetohydrazide
CID 43132204
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide
CID 86917359

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole?
The IUPAC name of 2-(furan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole (CID 86921500) is 2-(furan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-(furan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole?
The canonical SMILES for 2-(furan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole is Cc1ccc(S(=O)(=O)Cc2csc(-c3ccco3)n2)cc1.
What is the InChIKey of 2-(furan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole?
The InChIKey is NLRRQWDJNNTIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S2/c1-11-4-6-13(7-5-11)21(17,18)10-12-9-20-15(16-12)14-3-2-8-19-14/h2-9H,10H2,1H3.
What are the key properties of 2-(furan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole?
2-(furan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole has a molecular weight of 319.41 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole is sourced from PubChem (CID 86921500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).