2-methyl-4-[3-(sulfamoylamino)phenyl]-1,3-thiazole

C10H11N3O2S2 — CID 112573268

IUPAC2-methyl-4-[3-(sulfamoylamino)phenyl]-1,3-thiazole
SMILESCc1nc(-c2cccc(NS(N)(=O)=O)c2)cs1
InChIInChI=1S/C10H11N3O2S2/c1-7-12-10(6-16-7)8-3-2-4-9(5-8)13-17(11,14)15/h2-6,13H,1H3,(H2,11,14,15)
InChIKeyIVFIURQGIRRCRQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.73
Rot. Bonds3

About 2-methyl-4-[3-(sulfamoylamino)phenyl]-1,3-thiazole

2-methyl-4-[3-(sulfamoylamino)phenyl]-1,3-thiazole (PubChem CID 112573268) has the molecular formula C10H11N3O2S2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-methyl-4-[3-(sulfamoylamino)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[3-(sulfamoylamino)phenyl]-1,3-thiazole
PubChem CID112573268
Molecular FormulaC10H11N3O2S2
Molecular Weight269.35 g/mol
Exact Mass269.03
IUPAC Name2-methyl-4-[3-(sulfamoylamino)phenyl]-1,3-thiazole
SMILESCc1nc(-c2cccc(NS(N)(=O)=O)c2)cs1
InChIInChI=1S/C10H11N3O2S2/c1-7-12-10(6-16-7)8-3-2-4-9(5-8)13-17(11,14)15/h2-6,13H,1H3,(H2,11,14,15)
InChIKeyIVFIURQGIRRCRQ-UHFFFAOYSA-N
XLogP1.73
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 684183
2-methyl-4-[4-(sulfamoylamino)phenyl]-1,3-thiazole
CID 112573169
1-(3,5-difluorophenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 122286051
3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-4-sulfonamide
CID 8002125
2,5-difluoro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 9240048
4-fluoro-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 24656453
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 122286053
2-methyl-4-[1-[3-(sulfamoylamino)anilino]ethyl]-1,3-thiazole
CID 43742065
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
1-ethyl-3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-sulfonamide
CID 122286063
3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinoline-8-sulfonamide
CID 31046759
4-methyl-3-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid
CID 8823584

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-(sulfamoylamino)phenyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[3-(sulfamoylamino)phenyl]-1,3-thiazole (CID 112573268) is 2-methyl-4-[3-(sulfamoylamino)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[3-(sulfamoylamino)phenyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[3-(sulfamoylamino)phenyl]-1,3-thiazole is Cc1nc(-c2cccc(NS(N)(=O)=O)c2)cs1.
What is the InChIKey of 2-methyl-4-[3-(sulfamoylamino)phenyl]-1,3-thiazole?
The InChIKey is IVFIURQGIRRCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S2/c1-7-12-10(6-16-7)8-3-2-4-9(5-8)13-17(11,14)15/h2-6,13H,1H3,(H2,11,14,15).
What are the key properties of 2-methyl-4-[3-(sulfamoylamino)phenyl]-1,3-thiazole?
2-methyl-4-[3-(sulfamoylamino)phenyl]-1,3-thiazole has a molecular weight of 269.35 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-(sulfamoylamino)phenyl]-1,3-thiazole is sourced from PubChem (CID 112573268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).