4-methyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide

C14H15N3O2S2 — CID 3242283

IUPAC4-methyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cn3c(C)csc3n2)cc1
InChIInChI=1S/C14H15N3O2S2/c1-10-3-5-13(6-4-10)21(18,19)15-7-12-8-17-11(2)9-20-14(17)16-12/h3-6,8-9,15H,7H2,1-2H3
InChIKeyYTHYRMBCCMFIAT-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.49
Rot. Bonds4

About 4-methyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide

4-methyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide (PubChem CID 3242283) has the molecular formula C14H15N3O2S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 4-methyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide
PubChem CID3242283
Molecular FormulaC14H15N3O2S2
Molecular Weight321.43 g/mol
Exact Mass321.06
IUPAC Name4-methyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cn3c(C)csc3n2)cc1
InChIInChI=1S/C14H15N3O2S2/c1-10-3-5-13(6-4-10)21(18,19)15-7-12-8-17-11(2)9-20-14(17)16-12/h3-6,8-9,15H,7H2,1-2H3
InChIKeyYTHYRMBCCMFIAT-UHFFFAOYSA-N
XLogP2.49
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide (CID 3242283) is 4-methyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2cn3c(C)csc3n2)cc1.
What is the InChIKey of 4-methyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide?
The InChIKey is YTHYRMBCCMFIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S2/c1-10-3-5-13(6-4-10)21(18,19)15-7-12-8-17-11(2)9-20-14(17)16-12/h3-6,8-9,15H,7H2,1-2H3.
What are the key properties of 4-methyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide?
4-methyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide has a molecular weight of 321.43 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 3242283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).