N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-(methylaminomethyl)furan-2-sulfonamide

C12H15N3O3S2 — CID 106053376

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-(methylaminomethyl)furan-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2nc3c(s2)CCC3)o1
InChIInChI=1S/C12H15N3O3S2/c1-13-7-8-5-6-11(18-8)20(16,17)15-12-14-9-3-2-4-10(9)19-12/h5-6,13H,2-4,7H2,1H3,(H,14,15)
InChIKeyGDOLSEVHDVORAI-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.75
Rot. Bonds5

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-(methylaminomethyl)furan-2-sulfonamide

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-(methylaminomethyl)furan-2-sulfonamide (PubChem CID 106053376) has the molecular formula C12H15N3O3S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-(methylaminomethyl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-(methylaminomethyl)furan-2-sulfonamide
PubChem CID106053376
Molecular FormulaC12H15N3O3S2
Molecular Weight313.40 g/mol
Exact Mass313.06
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-(methylaminomethyl)furan-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2nc3c(s2)CCC3)o1
InChIInChI=1S/C12H15N3O3S2/c1-13-7-8-5-6-11(18-8)20(16,17)15-12-14-9-3-2-4-10(9)19-12/h5-6,13H,2-4,7H2,1H3,(H,14,15)
InChIKeyGDOLSEVHDVORAI-UHFFFAOYSA-N
XLogP1.75
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106053365
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106053395
5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-sulfonamide
CID 106081269
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,4-dimethylbenzenesulfonamide
CID 84569915
3-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-fluoro-4-methylbenzenesulfonamide
CID 116791735
5-(aminomethyl)-2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)furan-3-sulfonamide
CID 106053348
4-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbenzenesulfonamide
CID 106919755
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(ethylamino)benzenesulfonamide
CID 62152211
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(ethylamino)pyridine-4-sulfonamide
CID 62152569
2,5-dichloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzenesulfonamide
CID 3566516
3,4-difluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 22201612
3-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pyridine-2-sulfonamide
CID 103305510

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-(methylaminomethyl)furan-2-sulfonamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-(methylaminomethyl)furan-2-sulfonamide (CID 106053376) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-(methylaminomethyl)furan-2-sulfonamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-(methylaminomethyl)furan-2-sulfonamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-(methylaminomethyl)furan-2-sulfonamide is CNCc1ccc(S(=O)(=O)Nc2nc3c(s2)CCC3)o1.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-(methylaminomethyl)furan-2-sulfonamide?
The InChIKey is GDOLSEVHDVORAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S2/c1-13-7-8-5-6-11(18-8)20(16,17)15-12-14-9-3-2-4-10(9)19-12/h5-6,13H,2-4,7H2,1H3,(H,14,15).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-(methylaminomethyl)furan-2-sulfonamide?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-(methylaminomethyl)furan-2-sulfonamide has a molecular weight of 313.40 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-(methylaminomethyl)furan-2-sulfonamide is sourced from PubChem (CID 106053376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).