1-[3-(dimethylsulfamoyl)phenyl]-3-(1H-indazol-6-yl)thiourea

C16H17N5O2S2 — CID 4235162

IUPAC1-[3-(dimethylsulfamoyl)phenyl]-3-(1H-indazol-6-yl)thiourea
SMILESCN(C)S(=O)(=O)c1cccc(NC(=S)Nc2ccc3cn[nH]c3c2)c1
InChIInChI=1S/C16H17N5O2S2/c1-21(2)25(22,23)14-5-3-4-12(8-14)18-16(24)19-13-7-6-11-10-17-20-15(11)9-13/h3-10H,1-2H3,(H,17,20)(H2,18,19,24)
InChIKeyFZQZMAPQGYNQTN-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.62
Rot. Bonds4

About 1-[3-(dimethylsulfamoyl)phenyl]-3-(1H-indazol-6-yl)thiourea

1-[3-(dimethylsulfamoyl)phenyl]-3-(1H-indazol-6-yl)thiourea (PubChem CID 4235162) has the molecular formula C16H17N5O2S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 1-[3-(dimethylsulfamoyl)phenyl]-3-(1H-indazol-6-yl)thiourea.

Molecular Properties

Compound Name1-[3-(dimethylsulfamoyl)phenyl]-3-(1H-indazol-6-yl)thiourea
PubChem CID4235162
Molecular FormulaC16H17N5O2S2
Molecular Weight375.48 g/mol
Exact Mass375.08
IUPAC Name1-[3-(dimethylsulfamoyl)phenyl]-3-(1H-indazol-6-yl)thiourea
SMILESCN(C)S(=O)(=O)c1cccc(NC(=S)Nc2ccc3cn[nH]c3c2)c1
InChIInChI=1S/C16H17N5O2S2/c1-21(2)25(22,23)14-5-3-4-12(8-14)18-16(24)19-13-7-6-11-10-17-20-15(11)9-13/h3-10H,1-2H3,(H,17,20)(H2,18,19,24)
InChIKeyFZQZMAPQGYNQTN-UHFFFAOYSA-N
XLogP2.62
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(1H-indazol-6-yl)-3-(3-methylphenyl)thiourea
CID 3437722
1-(3,4-dichlorophenyl)-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 3962779
1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)thiourea
CID 3626438
1-(4-tert-butylphenyl)-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 46800335
3-amino-5-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)benzamide
CID 118760029
1-(3-cyanophenyl)-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 8614863
1-(4-ethylphenyl)-3-(1H-indazol-6-yl)thiourea
CID 2396748
N-[3-(dimethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide
CID 108529059
1-(3-chloro-4-methoxyphenyl)-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 46800265
1-[3-(dimethylsulfamoyl)phenyl]-3-(2-methylpropyl)thiourea
CID 8626970
1-[3-(dimethylsulfamoyl)phenyl]-3-[(2R)-1-hydroxybutan-2-yl]thiourea
CID 7765713
1-[(2R)-butan-2-yl]-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 8619665

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylsulfamoyl)phenyl]-3-(1H-indazol-6-yl)thiourea?
The IUPAC name of 1-[3-(dimethylsulfamoyl)phenyl]-3-(1H-indazol-6-yl)thiourea (CID 4235162) is 1-[3-(dimethylsulfamoyl)phenyl]-3-(1H-indazol-6-yl)thiourea.
What is the SMILES notation for 1-[3-(dimethylsulfamoyl)phenyl]-3-(1H-indazol-6-yl)thiourea?
The canonical SMILES for 1-[3-(dimethylsulfamoyl)phenyl]-3-(1H-indazol-6-yl)thiourea is CN(C)S(=O)(=O)c1cccc(NC(=S)Nc2ccc3cn[nH]c3c2)c1.
What is the InChIKey of 1-[3-(dimethylsulfamoyl)phenyl]-3-(1H-indazol-6-yl)thiourea?
The InChIKey is FZQZMAPQGYNQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S2/c1-21(2)25(22,23)14-5-3-4-12(8-14)18-16(24)19-13-7-6-11-10-17-20-15(11)9-13/h3-10H,1-2H3,(H,17,20)(H2,18,19,24).
What are the key properties of 1-[3-(dimethylsulfamoyl)phenyl]-3-(1H-indazol-6-yl)thiourea?
1-[3-(dimethylsulfamoyl)phenyl]-3-(1H-indazol-6-yl)thiourea has a molecular weight of 375.48 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylsulfamoyl)phenyl]-3-(1H-indazol-6-yl)thiourea is sourced from PubChem (CID 4235162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).