2,4-dimethyl-5-(3-methyl-2-phenylpyrrol-1-yl)sulfonyl-1,3-thiazole

C16H16N2O2S2 — CID 141170985

IUPAC2,4-dimethyl-5-(3-methyl-2-phenylpyrrol-1-yl)sulfonyl-1,3-thiazole
SMILESCc1nc(C)c(S(=O)(=O)n2ccc(C)c2-c2ccccc2)s1
InChIInChI=1S/C16H16N2O2S2/c1-11-9-10-18(15(11)14-7-5-4-6-8-14)22(19,20)16-12(2)17-13(3)21-16/h4-10H,1-3H3
InChIKeyWYDBWCIZBXLBHV-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.77
Rot. Bonds3

About 2,4-dimethyl-5-(3-methyl-2-phenylpyrrol-1-yl)sulfonyl-1,3-thiazole

2,4-dimethyl-5-(3-methyl-2-phenylpyrrol-1-yl)sulfonyl-1,3-thiazole (PubChem CID 141170985) has the molecular formula C16H16N2O2S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2,4-dimethyl-5-(3-methyl-2-phenylpyrrol-1-yl)sulfonyl-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-(3-methyl-2-phenylpyrrol-1-yl)sulfonyl-1,3-thiazole
PubChem CID141170985
Molecular FormulaC16H16N2O2S2
Molecular Weight332.45 g/mol
Exact Mass332.07
IUPAC Name2,4-dimethyl-5-(3-methyl-2-phenylpyrrol-1-yl)sulfonyl-1,3-thiazole
SMILESCc1nc(C)c(S(=O)(=O)n2ccc(C)c2-c2ccccc2)s1
InChIInChI=1S/C16H16N2O2S2/c1-11-9-10-18(15(11)14-7-5-4-6-8-14)22(19,20)16-12(2)17-13(3)21-16/h4-10H,1-3H3
InChIKeyWYDBWCIZBXLBHV-UHFFFAOYSA-N
XLogP3.77
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(3-methyl-2-phenylpyrrol-1-yl)sulfonyl-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-(3-methyl-2-phenylpyrrol-1-yl)sulfonyl-1,3-thiazole (CID 141170985) is 2,4-dimethyl-5-(3-methyl-2-phenylpyrrol-1-yl)sulfonyl-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-(3-methyl-2-phenylpyrrol-1-yl)sulfonyl-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-(3-methyl-2-phenylpyrrol-1-yl)sulfonyl-1,3-thiazole is Cc1nc(C)c(S(=O)(=O)n2ccc(C)c2-c2ccccc2)s1.
What is the InChIKey of 2,4-dimethyl-5-(3-methyl-2-phenylpyrrol-1-yl)sulfonyl-1,3-thiazole?
The InChIKey is WYDBWCIZBXLBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S2/c1-11-9-10-18(15(11)14-7-5-4-6-8-14)22(19,20)16-12(2)17-13(3)21-16/h4-10H,1-3H3.
What are the key properties of 2,4-dimethyl-5-(3-methyl-2-phenylpyrrol-1-yl)sulfonyl-1,3-thiazole?
2,4-dimethyl-5-(3-methyl-2-phenylpyrrol-1-yl)sulfonyl-1,3-thiazole has a molecular weight of 332.45 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(3-methyl-2-phenylpyrrol-1-yl)sulfonyl-1,3-thiazole is sourced from PubChem (CID 141170985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).