5-ethyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]thiophene-2-sulfonamide

C13H15N3O2S3 — CID 5310560

IUPAC5-ethyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2cn3c(C)csc3n2)s1
InChIInChI=1S/C13H15N3O2S3/c1-3-11-4-5-12(20-11)21(17,18)14-6-10-7-16-9(2)8-19-13(16)15-10/h4-5,7-8,14H,3,6H2,1-2H3
InChIKeyPTXKTQGMTPRWGT-UHFFFAOYSA-N
MW341.48 g/mol
LogP2.81
Rot. Bonds5

About 5-ethyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]thiophene-2-sulfonamide

5-ethyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]thiophene-2-sulfonamide (PubChem CID 5310560) has the molecular formula C13H15N3O2S3 and a molecular weight of 341.48 g/mol. Its IUPAC name is 5-ethyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]thiophene-2-sulfonamide
PubChem CID5310560
Molecular FormulaC13H15N3O2S3
Molecular Weight341.48 g/mol
Exact Mass341.03
IUPAC Name5-ethyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2cn3c(C)csc3n2)s1
InChIInChI=1S/C13H15N3O2S3/c1-3-11-4-5-12(20-11)21(17,18)14-6-10-7-16-9(2)8-19-13(16)15-10/h4-5,7-8,14H,3,6H2,1-2H3
InChIKeyPTXKTQGMTPRWGT-UHFFFAOYSA-N
XLogP2.81
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]thiophene-2-sulfonamide (CID 5310560) is 5-ethyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCc2cn3c(C)csc3n2)s1.
What is the InChIKey of 5-ethyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is PTXKTQGMTPRWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S3/c1-3-11-4-5-12(20-11)21(17,18)14-6-10-7-16-9(2)8-19-13(16)15-10/h4-5,7-8,14H,3,6H2,1-2H3.
What are the key properties of 5-ethyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]thiophene-2-sulfonamide?
5-ethyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 341.48 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 5310560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).