2-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-5-methyl-1,3-thiazole

C9H18N4O2S2 — CID 114129362

IUPAC2-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-5-methyl-1,3-thiazole
SMILESCc1cnc(CNS(=O)(=O)N(C)CCCN)s1
InChIInChI=1S/C9H18N4O2S2/c1-8-6-11-9(16-8)7-12-17(14,15)13(2)5-3-4-10/h6,12H,3-5,7,10H2,1-2H3
InChIKeyRGZOIQKPVBFTIC-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.07
Rot. Bonds7

About 2-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-5-methyl-1,3-thiazole

2-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-5-methyl-1,3-thiazole (PubChem CID 114129362) has the molecular formula C9H18N4O2S2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-5-methyl-1,3-thiazole
PubChem CID114129362
Molecular FormulaC9H18N4O2S2
Molecular Weight278.40 g/mol
Exact Mass278.09
IUPAC Name2-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-5-methyl-1,3-thiazole
SMILESCc1cnc(CNS(=O)(=O)N(C)CCCN)s1
InChIInChI=1S/C9H18N4O2S2/c1-8-6-11-9(16-8)7-12-17(14,15)13(2)5-3-4-10/h6,12H,3-5,7,10H2,1-2H3
InChIKeyRGZOIQKPVBFTIC-UHFFFAOYSA-N
XLogP0.07
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5-Methyl-1,3-thiazol-2-yl)methanamine
CID 24274472
1-(5-Methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274473
2-(5-Methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24279096
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide
CID 71997183
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide
CID 71997185
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide
CID 72120337
1-(5-Methyl-1,3-thiazol-2-yl)propan-1-amine
CID 43558941
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 105916093
[(5-Methyl-1,3-thiazol-2-yl)methyl][2-(methylamino)ethyl](2,2,2-trifluoroethyl)amine
CID 165740988
N1-((2-methylthiazol-5-yl)methyl)ethane-1,2-diamine
CID 14009882
N-(2-Methyl-5-thiazolylmethyl]trimethylenediamine
CID 14009896
2-[(2-Dimethylaminomethylthiazol-5-yl)methylthio]ethylamine
CID 15592304

Frequently Asked Questions

What is the IUPAC name of 2-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-5-methyl-1,3-thiazole?
The IUPAC name of 2-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-5-methyl-1,3-thiazole (CID 114129362) is 2-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-5-methyl-1,3-thiazole?
The canonical SMILES for 2-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-5-methyl-1,3-thiazole is Cc1cnc(CNS(=O)(=O)N(C)CCCN)s1.
What is the InChIKey of 2-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-5-methyl-1,3-thiazole?
The InChIKey is RGZOIQKPVBFTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S2/c1-8-6-11-9(16-8)7-12-17(14,15)13(2)5-3-4-10/h6,12H,3-5,7,10H2,1-2H3.
What are the key properties of 2-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-5-methyl-1,3-thiazole?
2-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-5-methyl-1,3-thiazole has a molecular weight of 278.40 g/mol, XLogP of 0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-5-methyl-1,3-thiazole is sourced from PubChem (CID 114129362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).