4-[2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]ethyl]-2-methyl-1,3-thiazole

C13H24N4O2S2 — CID 106094989

IUPAC4-[2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]ethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CCNS(=O)(=O)N(C)CCCNC2CC2)cs1
InChIInChI=1S/C13H24N4O2S2/c1-11-16-13(10-20-11)6-8-15-21(18,19)17(2)9-3-7-14-12-4-5-12/h10,12,14-15H,3-9H2,1-2H3
InChIKeyQDHDYOQDIWGCEC-UHFFFAOYSA-N
MW332.50 g/mol
LogP0.90
Rot. Bonds10

About 4-[2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]ethyl]-2-methyl-1,3-thiazole

4-[2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]ethyl]-2-methyl-1,3-thiazole (PubChem CID 106094989) has the molecular formula C13H24N4O2S2 and a molecular weight of 332.50 g/mol. Its IUPAC name is 4-[2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]ethyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]ethyl]-2-methyl-1,3-thiazole
PubChem CID106094989
Molecular FormulaC13H24N4O2S2
Molecular Weight332.50 g/mol
Exact Mass332.13
IUPAC Name4-[2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]ethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CCNS(=O)(=O)N(C)CCCNC2CC2)cs1
InChIInChI=1S/C13H24N4O2S2/c1-11-16-13(10-20-11)6-8-15-21(18,19)17(2)9-3-7-14-12-4-5-12/h10,12,14-15H,3-9H2,1-2H3
InChIKeyQDHDYOQDIWGCEC-UHFFFAOYSA-N
XLogP0.90
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]ethyl]-2-methyl-1,3-thiazole with MolForge

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Related Compounds

2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-6-methylpyridine
CID 106054981
2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-4,5-dimethyl-1,3-oxazole
CID 106378302
3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1,3-diamine
CID 106039550
2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-1H-imidazole
CID 106069204
2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-5-methyl-1,3-thiazole
CID 106060914
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 106049173
5-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-1-methylpyrazole
CID 106064953
2-(methylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide
CID 106049175
[3-[methyl-[2-(2-methylpropoxy)ethylsulfamoyl]amino]propylamino]cyclopropane
CID 106085300
2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 106053324
1-bromo-2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]benzene
CID 106051888
[3-[methyl(3-methylpentan-3-ylsulfamoyl)amino]propylamino]cyclopropane
CID 106331865

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]ethyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]ethyl]-2-methyl-1,3-thiazole (CID 106094989) is 4-[2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]ethyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]ethyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]ethyl]-2-methyl-1,3-thiazole is Cc1nc(CCNS(=O)(=O)N(C)CCCNC2CC2)cs1.
What is the InChIKey of 4-[2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]ethyl]-2-methyl-1,3-thiazole?
The InChIKey is QDHDYOQDIWGCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S2/c1-11-16-13(10-20-11)6-8-15-21(18,19)17(2)9-3-7-14-12-4-5-12/h10,12,14-15H,3-9H2,1-2H3.
What are the key properties of 4-[2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]ethyl]-2-methyl-1,3-thiazole?
4-[2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]ethyl]-2-methyl-1,3-thiazole has a molecular weight of 332.50 g/mol, XLogP of 0.90, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]ethyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 106094989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).