N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-5-methylthiophene-2-sulfonamide

C12H15N3O2S3 — CID 7640563

IUPACN-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2cn3c(n2)SCC3)s1
InChIInChI=1S/C12H15N3O2S3/c1-9-2-3-11(19-9)20(16,17)13-5-4-10-8-15-6-7-18-12(15)14-10/h2-3,8,13H,4-7H2,1H3
InChIKeyHYAFGSVHZWNGJO-UHFFFAOYSA-N
MW329.47 g/mol
LogP1.88
Rot. Bonds5

About N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-5-methylthiophene-2-sulfonamide

N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-5-methylthiophene-2-sulfonamide (PubChem CID 7640563) has the molecular formula C12H15N3O2S3 and a molecular weight of 329.47 g/mol. Its IUPAC name is N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-5-methylthiophene-2-sulfonamide
PubChem CID7640563
Molecular FormulaC12H15N3O2S3
Molecular Weight329.47 g/mol
Exact Mass329.03
IUPAC NameN-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2cn3c(n2)SCC3)s1
InChIInChI=1S/C12H15N3O2S3/c1-9-2-3-11(19-9)20(16,17)13-5-4-10-8-15-6-7-18-12(15)14-10/h2-3,8,13H,4-7H2,1H3
InChIKeyHYAFGSVHZWNGJO-UHFFFAOYSA-N
XLogP1.88
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-3-fluorobenzenesulfonamide
CID 7640542
N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-2-phenylethanesulfonamide
CID 7640568
N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 7640538
5-methyl-N-[2-(1,3-oxazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 110722046
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-5-methylthiophene-2-sulfonamide
CID 110317199
5-chloro-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]thiophene-2-sulfonamide
CID 7150805
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methylthiophene-2-sulfonamide
CID 110717209
5-methyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]thiophene-2-sulfonamide
CID 110401619
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959
5-methyl-N-pentylthiophene-2-sulfonamide
CID 39791909
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide
CID 110416011
5-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide
CID 110719630

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-5-methylthiophene-2-sulfonamide (CID 7640563) is N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCCc2cn3c(n2)SCC3)s1.
What is the InChIKey of N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is HYAFGSVHZWNGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S3/c1-9-2-3-11(19-9)20(16,17)13-5-4-10-8-15-6-7-18-12(15)14-10/h2-3,8,13H,4-7H2,1H3.
What are the key properties of N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-5-methylthiophene-2-sulfonamide?
N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 329.47 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 7640563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).