N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide

C12H17N3O2S3 — CID 106054807

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
SMILESCNCCc1ccc(S(=O)(=O)Nc2nc(C)c(C)s2)s1
InChIInChI=1S/C12H17N3O2S3/c1-8-9(2)18-12(14-8)15-20(16,17)11-5-4-10(19-11)6-7-13-3/h4-5,13H,6-7H2,1-3H3,(H,14,15)
InChIKeyMQDASNJUMRKIME-UHFFFAOYSA-N
MW331.49 g/mol
LogP2.38
Rot. Bonds6

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide (PubChem CID 106054807) has the molecular formula C12H17N3O2S3 and a molecular weight of 331.49 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
PubChem CID106054807
Molecular FormulaC12H17N3O2S3
Molecular Weight331.49 g/mol
Exact Mass331.05
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
SMILESCNCCc1ccc(S(=O)(=O)Nc2nc(C)c(C)s2)s1
InChIInChI=1S/C12H17N3O2S3/c1-8-9(2)18-12(14-8)15-20(16,17)11-5-4-10(19-11)6-7-13-3/h4-5,13H,6-7H2,1-3H3,(H,14,15)
InChIKeyMQDASNJUMRKIME-UHFFFAOYSA-N
XLogP2.38
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106053395
N-(4-ethylphenyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 107287170
5-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 61477600
5-[2-(methylamino)ethyl]-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-sulfonamide
CID 106056402
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106054788
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
CID 106054763
5-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 71974673
5-[2-(methylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide
CID 81174323
N-(2,6-dimethyl-3-pyridinyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106071129
N-(cyclopentylmethyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106027253
5-[2-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide
CID 106054648
5-[2-(methylamino)ethyl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 106068090

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide (CID 106054807) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide is CNCCc1ccc(S(=O)(=O)Nc2nc(C)c(C)s2)s1.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide?
The InChIKey is MQDASNJUMRKIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S3/c1-8-9(2)18-12(14-8)15-20(16,17)11-5-4-10(19-11)6-7-13-3/h4-5,13H,6-7H2,1-3H3,(H,14,15).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide has a molecular weight of 331.49 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106054807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).