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

C13H17N3O2S3 — CID 106053395

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
SMILESCNCCc1ccc(S(=O)(=O)Nc2nc3c(s2)CCC3)s1
InChIInChI=1S/C13H17N3O2S3/c1-14-8-7-9-5-6-12(19-9)21(17,18)16-13-15-10-3-2-4-11(10)20-13/h5-6,14H,2-4,7-8H2,1H3,(H,15,16)
InChIKeyXRINSKDKHMSHJI-UHFFFAOYSA-N
MW343.50 g/mol
LogP2.26
Rot. Bonds6

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

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide (PubChem CID 106053395) has the molecular formula C13H17N3O2S3 and a molecular weight of 343.50 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
PubChem CID106053395
Molecular FormulaC13H17N3O2S3
Molecular Weight343.50 g/mol
Exact Mass343.05
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
SMILESCNCCc1ccc(S(=O)(=O)Nc2nc3c(s2)CCC3)s1
InChIInChI=1S/C13H17N3O2S3/c1-14-8-7-9-5-6-12(19-9)21(17,18)16-13-15-10-3-2-4-11(10)20-13/h5-6,14H,2-4,7-8H2,1H3,(H,15,16)
InChIKeyXRINSKDKHMSHJI-UHFFFAOYSA-N
XLogP2.26
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106054807
5-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
CID 3323683
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,4-dimethylbenzenesulfonamide
CID 84569915
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)-2-(ethylamino)benzenesulfonamide
CID 62152211
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106053365
5-(aminomethyl)-2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)furan-3-sulfonamide
CID 106053348
4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 62805228
N-(4-ethylphenyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 107287170
2,5-dichloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzenesulfonamide
CID 3566516
5-(aminomethyl)-2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-sulfonamide
CID 106053168
N-(cyclopentylmethyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106027253

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide (CID 106053395) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide is CNCCc1ccc(S(=O)(=O)Nc2nc3c(s2)CCC3)s1.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide?
The InChIKey is XRINSKDKHMSHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S3/c1-14-8-7-9-5-6-12(19-9)21(17,18)16-13-15-10-3-2-4-11(10)20-13/h5-6,14H,2-4,7-8H2,1H3,(H,15,16).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide has a molecular weight of 343.50 g/mol, XLogP of 2.26, 6 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-[2-(methylamino)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106053395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).