5-chloro-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]thiophene-2-sulfonamide

C10H9ClN4O2S3 — CID 110873480

IUPAC5-chloro-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]thiophene-2-sulfonamide
SMILESCc1nn2cc(CNS(=O)(=O)c3ccc(Cl)s3)nc2s1
InChIInChI=1S/C10H9ClN4O2S3/c1-6-14-15-5-7(13-10(15)18-6)4-12-20(16,17)9-3-2-8(11)19-9/h2-3,5,12H,4H2,1H3
InChIKeyWVGUOFVDOMDJGP-UHFFFAOYSA-N
MW348.86 g/mol
LogP2.29
Rot. Bonds4

About 5-chloro-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]thiophene-2-sulfonamide

5-chloro-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]thiophene-2-sulfonamide (PubChem CID 110873480) has the molecular formula C10H9ClN4O2S3 and a molecular weight of 348.86 g/mol. Its IUPAC name is 5-chloro-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]thiophene-2-sulfonamide
PubChem CID110873480
Molecular FormulaC10H9ClN4O2S3
Molecular Weight348.86 g/mol
Exact Mass347.96
IUPAC Name5-chloro-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]thiophene-2-sulfonamide
SMILESCc1nn2cc(CNS(=O)(=O)c3ccc(Cl)s3)nc2s1
InChIInChI=1S/C10H9ClN4O2S3/c1-6-14-15-5-7(13-10(15)18-6)4-12-20(16,17)9-3-2-8(11)19-9/h2-3,5,12H,4H2,1H3
InChIKeyWVGUOFVDOMDJGP-UHFFFAOYSA-N
XLogP2.29
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]thiophene-2-sulfonamide (CID 110873480) is 5-chloro-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]thiophene-2-sulfonamide is Cc1nn2cc(CNS(=O)(=O)c3ccc(Cl)s3)nc2s1.
What is the InChIKey of 5-chloro-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is WVGUOFVDOMDJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2S3/c1-6-14-15-5-7(13-10(15)18-6)4-12-20(16,17)9-3-2-8(11)19-9/h2-3,5,12H,4H2,1H3.
What are the key properties of 5-chloro-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]thiophene-2-sulfonamide?
5-chloro-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 348.86 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110873480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).