2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole

C13H22N4O2S2 — CID 106053324

IUPAC2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESCN(CCCNC1CC1)S(=O)(=O)Nc1nc2c(s1)CCC2
InChIInChI=1S/C13H22N4O2S2/c1-17(9-3-8-14-10-6-7-10)21(18,19)16-13-15-11-4-2-5-12(11)20-13/h10,14H,2-9H2,1H3,(H,15,16)
InChIKeyQNCHOVBDCHTBFQ-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.36
Rot. Bonds8

About 2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole

2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (PubChem CID 106053324) has the molecular formula C13H22N4O2S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.

Molecular Properties

Compound Name2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
PubChem CID106053324
Molecular FormulaC13H22N4O2S2
Molecular Weight330.48 g/mol
Exact Mass330.12
IUPAC Name2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESCN(CCCNC1CC1)S(=O)(=O)Nc1nc2c(s1)CCC2
InChIInChI=1S/C13H22N4O2S2/c1-17(9-3-8-14-10-6-7-10)21(18,19)16-13-15-11-4-2-5-12(11)20-13/h10,14H,2-9H2,1H3,(H,15,16)
InChIKeyQNCHOVBDCHTBFQ-UHFFFAOYSA-N
XLogP1.36
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.36
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

2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-5-methyl-1,3-thiazole
CID 106060914
3-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridazine
CID 106084052
4-[2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]ethyl]-2-methyl-1,3-thiazole
CID 106094989
2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-4,5-dimethyl-1,3-oxazole
CID 106378302
2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-6-methylpyridine
CID 106054981
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,4-dimethylbenzenesulfonamide
CID 84569915
3-chloro-2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridine
CID 106086534
1-bromo-2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]benzene
CID 106051888
2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-1H-imidazole
CID 106069204
[3-[methyl(3-methylpentan-3-ylsulfamoyl)amino]propylamino]cyclopropane
CID 106331865
1-bromo-2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-4-fluorobenzene
CID 106087475
2-bromo-4-chloro-1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]benzene
CID 106073444

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The IUPAC name of 2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (CID 106053324) is 2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.
What is the SMILES notation for 2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The canonical SMILES for 2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is CN(CCCNC1CC1)S(=O)(=O)Nc1nc2c(s1)CCC2.
What is the InChIKey of 2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The InChIKey is QNCHOVBDCHTBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S2/c1-17(9-3-8-14-10-6-7-10)21(18,19)16-13-15-11-4-2-5-12(11)20-13/h10,14H,2-9H2,1H3,(H,15,16).
What are the key properties of 2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole has a molecular weight of 330.48 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is sourced from PubChem (CID 106053324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).