7-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1,3-benzothiazole

C12H17N3O2S2 — CID 164690285

IUPAC7-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1,3-benzothiazole
SMILESCC(C)N(C)S(=O)(=O)NCc1cccc2ncsc12
InChIInChI=1S/C12H17N3O2S2/c1-9(2)15(3)19(16,17)14-7-10-5-4-6-11-12(10)18-8-13-11/h4-6,8-9,14H,7H2,1-3H3
InChIKeyDQCFCZHZDVJGHF-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.97
Rot. Bonds5

About 7-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1,3-benzothiazole

7-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1,3-benzothiazole (PubChem CID 164690285) has the molecular formula C12H17N3O2S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 7-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1,3-benzothiazole.

Molecular Properties

Compound Name7-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1,3-benzothiazole
PubChem CID164690285
Molecular FormulaC12H17N3O2S2
Molecular Weight299.42 g/mol
Exact Mass299.08
IUPAC Name7-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1,3-benzothiazole
SMILESCC(C)N(C)S(=O)(=O)NCc1cccc2ncsc12
InChIInChI=1S/C12H17N3O2S2/c1-9(2)15(3)19(16,17)14-7-10-5-4-6-11-12(10)18-8-13-11/h4-6,8-9,14H,7H2,1-3H3
InChIKeyDQCFCZHZDVJGHF-UHFFFAOYSA-N
XLogP1.97
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1,3-benzothiazole with MolForge

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Related Compounds

benzothiazolium, 2,5-dimethyl-3-(3-sulfopropyl)-, inner salt
CID 103345
3-(2,5,7-Trimethyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate
CID 3108947
4-(2,5-dimethylbenzothiazol-3-yl)butane-2-sulfonic Acid
CID 2841565
3-{5-methyl-2-[(1Z)-2-(methylsulfanyl)but-1-en-1-yl]-1,3-benzothiazol-3-ium-3-yl}propane-1-sulfonate
CID 5749511
(2Z)-3-ethyl-2-[(E)-3-(3-ethyl-7-methyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-7-methyl-1,3-benzothiazole
CID 58601230
1-(1,3-Benzothiazol-6-yl)ethan-1-amine
CID 67305193
1-(1,3-Benzothiazol-5-yl)methanamine
CID 69765407
5-[1-(2-Methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)ethyl]-1,3-benzothiazole
CID 146415012
1,3-Benzothiazol-6-ylmethylamine dihydrochloride
CID 110210982
2-Chloro-7-ethyl-1,3-benzothiazole
CID 165665286
2-Tert-butyl-7-methyl-1,3-benzothiazole
CID 10655864
N-(1,3-benzothiazol-2-ylsulfanyl)-1-phenylmethanamine
CID 12631492

Frequently Asked Questions

What is the IUPAC name of 7-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1,3-benzothiazole?
The IUPAC name of 7-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1,3-benzothiazole (CID 164690285) is 7-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1,3-benzothiazole.
What is the SMILES notation for 7-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1,3-benzothiazole?
The canonical SMILES for 7-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1,3-benzothiazole is CC(C)N(C)S(=O)(=O)NCc1cccc2ncsc12.
What is the InChIKey of 7-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1,3-benzothiazole?
The InChIKey is DQCFCZHZDVJGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S2/c1-9(2)15(3)19(16,17)14-7-10-5-4-6-11-12(10)18-8-13-11/h4-6,8-9,14H,7H2,1-3H3.
What are the key properties of 7-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1,3-benzothiazole?
7-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1,3-benzothiazole has a molecular weight of 299.42 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1,3-benzothiazole is sourced from PubChem (CID 164690285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).