2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,3-thiazole

C8H16N4O2S2 — CID 106031702

IUPAC2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,3-thiazole
SMILESCNCCCN(C)S(=O)(=O)Nc1nccs1
InChIInChI=1S/C8H16N4O2S2/c1-9-4-3-6-12(2)16(13,14)11-8-10-5-7-15-8/h5,7,9H,3-4,6H2,1-2H3,(H,10,11)
InChIKeyGWFPBBJUESFMCV-UHFFFAOYSA-N
MW264.38 g/mol
LogP0.34
Rot. Bonds7

About 2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,3-thiazole

2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,3-thiazole (PubChem CID 106031702) has the molecular formula C8H16N4O2S2 and a molecular weight of 264.38 g/mol. Its IUPAC name is 2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,3-thiazole.

Molecular Properties

Compound Name2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,3-thiazole
PubChem CID106031702
Molecular FormulaC8H16N4O2S2
Molecular Weight264.38 g/mol
Exact Mass264.07
IUPAC Name2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,3-thiazole
SMILESCNCCCN(C)S(=O)(=O)Nc1nccs1
InChIInChI=1S/C8H16N4O2S2/c1-9-4-3-6-12(2)16(13,14)11-8-10-5-7-15-8/h5,7,9H,3-4,6H2,1-2H3,(H,10,11)
InChIKeyGWFPBBJUESFMCV-UHFFFAOYSA-N
XLogP0.34
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dimethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine
CID 69151207
2-hydroxy-N-(1,3-thiazol-2-yl)ethanesulfonamide
CID 79588617
1-[3-(methylamino)propyl]-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide
CID 106031715
5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]quinoline
CID 106057892
N-(ethylsulfamoyl)-1,3-thiazol-2-amine
CID 89126853
5-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]-1,3-thiazole
CID 106060954
1,2,4-trichloro-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106057712
4-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)butane-1-sulfonamide
CID 106031673
4-chloro-N-(1,3-thiazol-2-yl)butane-1-sulfonamide
CID 116814761
1-(methylamino)-N-(1,3-thiazol-2-yl)propane-2-sulfonamide
CID 106031789
2-[1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propyl]thiophene
CID 106053430
5-bromo-1,3-difluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106066650

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,3-thiazole?
The IUPAC name of 2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,3-thiazole (CID 106031702) is 2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,3-thiazole.
What is the SMILES notation for 2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,3-thiazole?
The canonical SMILES for 2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,3-thiazole is CNCCCN(C)S(=O)(=O)Nc1nccs1.
What is the InChIKey of 2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,3-thiazole?
The InChIKey is GWFPBBJUESFMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S2/c1-9-4-3-6-12(2)16(13,14)11-8-10-5-7-15-8/h5,7,9H,3-4,6H2,1-2H3,(H,10,11).
What are the key properties of 2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,3-thiazole?
2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,3-thiazole has a molecular weight of 264.38 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,3-thiazole is sourced from PubChem (CID 106031702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).