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

C10H13N3O2S3 — CID 110719630

IUPAC5-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide
SMILESCNc1nc(CNS(=O)(=O)c2ccc(C)s2)cs1
InChIInChI=1S/C10H13N3O2S3/c1-7-3-4-9(17-7)18(14,15)12-5-8-6-16-10(11-2)13-8/h3-4,6,12H,5H2,1-2H3,(H,11,13)
InChIKeyNERXZSYFFUZGRI-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.03
Rot. Bonds5

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

5-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide (PubChem CID 110719630) has the molecular formula C10H13N3O2S3 and a molecular weight of 303.43 g/mol. Its IUPAC name is 5-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide
PubChem CID110719630
Molecular FormulaC10H13N3O2S3
Molecular Weight303.43 g/mol
Exact Mass303.02
IUPAC Name5-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide
SMILESCNc1nc(CNS(=O)(=O)c2ccc(C)s2)cs1
InChIInChI=1S/C10H13N3O2S3/c1-7-3-4-9(17-7)18(14,15)12-5-8-6-16-10(11-2)13-8/h3-4,6,12H,5H2,1-2H3,(H,11,13)
InChIKeyNERXZSYFFUZGRI-UHFFFAOYSA-N
XLogP2.03
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 110717446
4-[(dimethylsulfamoylamino)methyl]-2-(methylamino)-1,3-thiazole
CID 110719604
4-fluoro-2-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]benzenesulfonamide
CID 110719618
5-ethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide
CID 110397970
5-methyl-N-(1,3-thiazol-2-ylmethyl)thiophene-2-sulfonamide
CID 110738878
5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61284002
1-(4-fluorophenyl)-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]methanesulfonamide
CID 110719640
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide
CID 122254104
5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide
CID 132969309
N-[(2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 113317180
5-methyl-N-[(1-phenylpyrazol-3-yl)methyl]thiophene-2-sulfonamide
CID 78889870

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide (CID 110719630) is 5-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide is CNc1nc(CNS(=O)(=O)c2ccc(C)s2)cs1.
What is the InChIKey of 5-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is NERXZSYFFUZGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S3/c1-7-3-4-9(17-7)18(14,15)12-5-8-6-16-10(11-2)13-8/h3-4,6,12H,5H2,1-2H3,(H,11,13).
What are the key properties of 5-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide?
5-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 303.43 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110719630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).