4-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide

C14H15N3O3S2 — CID 23603672

IUPAC4-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2cn3ccsc3n2)cc1
InChIInChI=1S/C14H15N3O3S2/c1-2-20-12-3-5-13(6-4-12)22(18,19)15-9-11-10-17-7-8-21-14(17)16-11/h3-8,10,15H,2,9H2,1H3
InChIKeyFCOZVWCLEPVVJO-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.27
Rot. Bonds6

About 4-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide

4-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide (PubChem CID 23603672) has the molecular formula C14H15N3O3S2 and a molecular weight of 337.43 g/mol. Its IUPAC name is 4-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide
PubChem CID23603672
Molecular FormulaC14H15N3O3S2
Molecular Weight337.43 g/mol
Exact Mass337.06
IUPAC Name4-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2cn3ccsc3n2)cc1
InChIInChI=1S/C14H15N3O3S2/c1-2-20-12-3-5-13(6-4-12)22(18,19)15-9-11-10-17-7-8-21-14(17)16-11/h3-8,10,15H,2,9H2,1H3
InChIKeyFCOZVWCLEPVVJO-UHFFFAOYSA-N
XLogP2.27
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-propan-2-yloxybenzenesulfonamide
CID 110661634
N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethoxybenzenesulfonamide
CID 110718117
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-methoxyphenoxy)acetamide
CID 134027741
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 55977403
4-ethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122263634
4-methoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide
CID 23603678
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide
CID 3658662
4-(4-ethoxyphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 51169949
1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanol
CID 115332160
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pentan-3-amine
CID 78925544
4-ethoxy-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide
CID 110368685
4-ethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 86839268

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide (CID 23603672) is 4-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCc2cn3ccsc3n2)cc1.
What is the InChIKey of 4-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide?
The InChIKey is FCOZVWCLEPVVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S2/c1-2-20-12-3-5-13(6-4-12)22(18,19)15-9-11-10-17-7-8-21-14(17)16-11/h3-8,10,15H,2,9H2,1H3.
What are the key properties of 4-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide?
4-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide has a molecular weight of 337.43 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 23603672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).