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

C14H15N3O2S2 — CID 7151328

IUPACN-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(-c2cn3c(C)csc3n2)cc1
InChIInChI=1S/C14H15N3O2S2/c1-3-21(18,19)16-12-6-4-11(5-7-12)13-8-17-10(2)9-20-14(17)15-13/h4-9,16H,3H2,1-2H3
InChIKeyCCWOUWHWAKFLRK-UHFFFAOYSA-N
MW321.43 g/mol
LogP3.13
Rot. Bonds4

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

N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]ethanesulfonamide (PubChem CID 7151328) has the molecular formula C14H15N3O2S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]ethanesulfonamide
PubChem CID7151328
Molecular FormulaC14H15N3O2S2
Molecular Weight321.43 g/mol
Exact Mass321.06
IUPAC NameN-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(-c2cn3c(C)csc3n2)cc1
InChIInChI=1S/C14H15N3O2S2/c1-3-21(18,19)16-12-6-4-11(5-7-12)13-8-17-10(2)9-20-14(17)15-13/h4-9,16H,3H2,1-2H3
InChIKeyCCWOUWHWAKFLRK-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]ethanesulfonamide (CID 7151328) is N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(-c2cn3c(C)csc3n2)cc1.
What is the InChIKey of N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]ethanesulfonamide?
The InChIKey is CCWOUWHWAKFLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S2/c1-3-21(18,19)16-12-6-4-11(5-7-12)13-8-17-10(2)9-20-14(17)15-13/h4-9,16H,3H2,1-2H3.
What are the key properties of N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]ethanesulfonamide?
N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]ethanesulfonamide has a molecular weight of 321.43 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 7151328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).