N-(5-methyl-1,3-thiazol-2-yl)propane-1-sulfonamide

C7H12N2O2S2 — CID 60640161

IUPACN-(5-methyl-1,3-thiazol-2-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ncc(C)s1
InChIInChI=1S/C7H12N2O2S2/c1-3-4-13(10,11)9-7-8-5-6(2)12-7/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyFYAYIUCZRDESEO-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.60
Rot. Bonds4

About N-(5-methyl-1,3-thiazol-2-yl)propane-1-sulfonamide

N-(5-methyl-1,3-thiazol-2-yl)propane-1-sulfonamide (PubChem CID 60640161) has the molecular formula C7H12N2O2S2 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)propane-1-sulfonamide
PubChem CID60640161
Molecular FormulaC7H12N2O2S2
Molecular Weight220.32 g/mol
Exact Mass220.03
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ncc(C)s1
InChIInChI=1S/C7H12N2O2S2/c1-3-4-13(10,11)9-7-8-5-6(2)12-7/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyFYAYIUCZRDESEO-UHFFFAOYSA-N
XLogP1.60
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(5-methyl-1,3-thiazol-2-yl)ethanesulfonamide
CID 16791654
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propane-1-sulfonamide
CID 60813569
N-(5-bromo-1,3-thiazol-2-yl)-2-methylsulfonylethanesulfonamide
CID 55219468
4-(ethylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 60822034
2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-5-methyl-1,3-thiazole
CID 106060914
2-[(5-methyl-1,3-thiazol-2-yl)sulfamoylmethyl]benzenecarbothioamide
CID 29294145
N-(5-methyl-1,3-thiazol-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106060935
4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 54922138
5-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]-1,3-thiazole
CID 106060954
N-(5-methyl-1,3-thiazol-2-yl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106061086
2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-(propylaminomethyl)furan-3-sulfonamide
CID 106061132
6-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 25038248

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)propane-1-sulfonamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)propane-1-sulfonamide (CID 60640161) is N-(5-methyl-1,3-thiazol-2-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)propane-1-sulfonamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1ncc(C)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)propane-1-sulfonamide?
The InChIKey is FYAYIUCZRDESEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S2/c1-3-4-13(10,11)9-7-8-5-6(2)12-7/h5H,3-4H2,1-2H3,(H,8,9).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)propane-1-sulfonamide?
N-(5-methyl-1,3-thiazol-2-yl)propane-1-sulfonamide has a molecular weight of 220.32 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)propane-1-sulfonamide is sourced from PubChem (CID 60640161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).