2-methyl-5-(4-methylphenyl)sulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole

C13H14N2O2S2 — CID 15231190

IUPAC2-methyl-5-(4-methylphenyl)sulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole
SMILESCc1ccc(S(=O)(=O)N2Cc3nc(C)sc3C2)cc1
InChIInChI=1S/C13H14N2O2S2/c1-9-3-5-11(6-4-9)19(16,17)15-7-12-13(8-15)18-10(2)14-12/h3-6H,7-8H2,1-2H3
InChIKeyLXEXKPBPYDTHBJ-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.46
Rot. Bonds2

About 2-methyl-5-(4-methylphenyl)sulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole

2-methyl-5-(4-methylphenyl)sulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole (PubChem CID 15231190) has the molecular formula C13H14N2O2S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-methyl-5-(4-methylphenyl)sulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole.

Molecular Properties

Compound Name2-methyl-5-(4-methylphenyl)sulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole
PubChem CID15231190
Molecular FormulaC13H14N2O2S2
Molecular Weight294.40 g/mol
Exact Mass294.05
IUPAC Name2-methyl-5-(4-methylphenyl)sulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole
SMILESCc1ccc(S(=O)(=O)N2Cc3nc(C)sc3C2)cc1
InChIInChI=1S/C13H14N2O2S2/c1-9-3-5-11(6-4-9)19(16,17)15-7-12-13(8-15)18-10(2)14-12/h3-6H,7-8H2,1-2H3
InChIKeyLXEXKPBPYDTHBJ-UHFFFAOYSA-N
XLogP2.46
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-(4-methylphenyl)sulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,6-bis-(4-methylphenyl)sulfonyl-3,6,12-triazabicyclo[6.3.1]dodeca-1(12),8,10-triene
CID 15069694
6-(4-methylphenyl)sulfonyl-5,7-dihydrothieno[2,3-c]pyridin-4-one
CID 12752009
2-(4-methylphenyl)-5-(4-propylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 53033231
methyl N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529167
3-methyl-4-[4-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 102578903
3,5-dimethylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 14174967
10,23,28,34-tetrakis-(4-methylphenyl)sulfonyl-10,23,28,34-tetrazaheptacyclo[17.7.3.36,14.13,25.14,8.112,16.117,21]hexatriaconta-1,3(30),4(36),5,7,12,14,16(32),17(31),18,20,25-dodecaene
CID 100934368
N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide
CID 50832532
(3Z,7Z)-1-(4-methylphenyl)sulfonyl-2,5,6,9-tetrahydroazonine
CID 101406646
4-(4-methylphenyl)sulfonylthiomorpholine
CID 4068383
N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
CID 50832404
N-[5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-4-methylbenzamide
CID 50832309

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylphenyl)sulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole?
The IUPAC name of 2-methyl-5-(4-methylphenyl)sulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole (CID 15231190) is 2-methyl-5-(4-methylphenyl)sulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole.
What is the SMILES notation for 2-methyl-5-(4-methylphenyl)sulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole?
The canonical SMILES for 2-methyl-5-(4-methylphenyl)sulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole is Cc1ccc(S(=O)(=O)N2Cc3nc(C)sc3C2)cc1.
What is the InChIKey of 2-methyl-5-(4-methylphenyl)sulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole?
The InChIKey is LXEXKPBPYDTHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S2/c1-9-3-5-11(6-4-9)19(16,17)15-7-12-13(8-15)18-10(2)14-12/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-methyl-5-(4-methylphenyl)sulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole?
2-methyl-5-(4-methylphenyl)sulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole has a molecular weight of 294.40 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylphenyl)sulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole is sourced from PubChem (CID 15231190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).