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

C13H18N4O2S2 — CID 106053365

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2nc3c(s2)CCC3)cn1C
InChIInChI=1S/C13H18N4O2S2/c1-14-7-9-6-10(8-17(9)2)21(18,19)16-13-15-11-4-3-5-12(11)20-13/h6,8,14H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyHXVJLTZPQJNBEB-UHFFFAOYSA-N
MW326.45 g/mol
LogP1.49
Rot. Bonds5

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

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide (PubChem CID 106053365) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
PubChem CID106053365
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2nc3c(s2)CCC3)cn1C
InChIInChI=1S/C13H18N4O2S2/c1-14-7-9-6-10(8-17(9)2)21(18,19)16-13-15-11-4-3-5-12(11)20-13/h6,8,14H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyHXVJLTZPQJNBEB-UHFFFAOYSA-N
XLogP1.49
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.49
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)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106053376
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
1-(3-aminopropyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pyrazole-4-sulfonamide
CID 106053393
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)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106053395
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(ethylamino)pyridine-4-sulfonamide
CID 62152569
2,3,5,6-tetramethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 22201617
3,4-difluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 22201612
2,3,4,5,6-pentamethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 22201616
N-(3-fluoro-5-methylphenyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106070494
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(ethylamino)benzenesulfonamide
CID 62152211

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide (CID 106053365) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide is CNCc1cc(S(=O)(=O)Nc2nc3c(s2)CCC3)cn1C.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide?
The InChIKey is HXVJLTZPQJNBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-14-7-9-6-10(8-17(9)2)21(18,19)16-13-15-11-4-3-5-12(11)20-13/h6,8,14H,3-5,7H2,1-2H3,(H,15,16).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide has a molecular weight of 326.45 g/mol, XLogP of 1.49, 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)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 106053365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).