N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxy-4-methylbenzenesulfonamide

C19H19N3O3S2 — CID 121149467

IUPACN-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(C)ccc1S(=O)(=O)Nc1ccccc1-c1cn2c(n1)SCC2
InChIInChI=1S/C19H19N3O3S2/c1-13-7-8-18(17(11-13)25-2)27(23,24)21-15-6-4-3-5-14(15)16-12-22-9-10-26-19(22)20-16/h3-8,11-12,21H,9-10H2,1-2H3
InChIKeyCJDLVPZIEOQZGR-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.77
Rot. Bonds5

About N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxy-4-methylbenzenesulfonamide

N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxy-4-methylbenzenesulfonamide (PubChem CID 121149467) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxy-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxy-4-methylbenzenesulfonamide
PubChem CID121149467
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC NameN-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(C)ccc1S(=O)(=O)Nc1ccccc1-c1cn2c(n1)SCC2
InChIInChI=1S/C19H19N3O3S2/c1-13-7-8-18(17(11-13)25-2)27(23,24)21-15-6-4-3-5-14(15)16-12-22-9-10-26-19(22)20-16/h3-8,11-12,21H,9-10H2,1-2H3
InChIKeyCJDLVPZIEOQZGR-UHFFFAOYSA-N
XLogP3.77
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]thiophene-2-sulfonamide
CID 121149444
5-chloro-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxybenzamide
CID 121017054
N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 121149418
5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-methoxy-2-methylbenzenesulfonamide
CID 121031239
5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxybenzenesulfonamide
CID 121031215
N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 7488338
N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 50876640
N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 121148230
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-fluoro-4-methoxybenzenesulfonamide
CID 30288486
5-bromo-2-methoxy-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 121149779
N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-2-carboxamide
CID 121148254
N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 121017060

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxy-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxy-4-methylbenzenesulfonamide (CID 121149467) is N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxy-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxy-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxy-4-methylbenzenesulfonamide is COc1cc(C)ccc1S(=O)(=O)Nc1ccccc1-c1cn2c(n1)SCC2.
What is the InChIKey of N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxy-4-methylbenzenesulfonamide?
The InChIKey is CJDLVPZIEOQZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c1-13-7-8-18(17(11-13)25-2)27(23,24)21-15-6-4-3-5-14(15)16-12-22-9-10-26-19(22)20-16/h3-8,11-12,21H,9-10H2,1-2H3.
What are the key properties of N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxy-4-methylbenzenesulfonamide?
N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxy-4-methylbenzenesulfonamide has a molecular weight of 401.51 g/mol, XLogP of 3.77, 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)phenyl]-2-methoxy-4-methylbenzenesulfonamide is sourced from PubChem (CID 121149467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).