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

C19H18ClN3O3S2 — CID 121031239

IUPAC5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2cccc(-c3cn4c(n3)SCC4)c2)cc1Cl
InChIInChI=1S/C19H18ClN3O3S2/c1-12-8-17(26-2)15(20)10-18(12)28(24,25)22-14-5-3-4-13(9-14)16-11-23-6-7-27-19(23)21-16/h3-5,8-11,22H,6-7H2,1-2H3
InChIKeyMUXOKHFWAFKLNC-UHFFFAOYSA-N
MW435.96 g/mol
LogP4.43
Rot. Bonds5

About 5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-methoxy-2-methylbenzenesulfonamide

5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-methoxy-2-methylbenzenesulfonamide (PubChem CID 121031239) has the molecular formula C19H18ClN3O3S2 and a molecular weight of 435.96 g/mol. Its IUPAC name is 5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-methoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-methoxy-2-methylbenzenesulfonamide
PubChem CID121031239
Molecular FormulaC19H18ClN3O3S2
Molecular Weight435.96 g/mol
Exact Mass435.05
IUPAC Name5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2cccc(-c3cn4c(n3)SCC4)c2)cc1Cl
InChIInChI=1S/C19H18ClN3O3S2/c1-12-8-17(26-2)15(20)10-18(12)28(24,25)22-14-5-3-4-13(9-14)16-11-23-6-7-27-19(23)21-16/h3-5,8-11,22H,6-7H2,1-2H3
InChIKeyMUXOKHFWAFKLNC-UHFFFAOYSA-N
XLogP4.43
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxybenzenesulfonamide
CID 121031215
3-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methylbenzenesulfonamide
CID 121031242
2,5-dichloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide
CID 41427465
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-fluoro-4-methoxybenzenesulfonamide
CID 30288486
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
CID 121031214
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]pyridine-3-sulfonamide
CID 7151318
N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxy-4-methylbenzenesulfonamide
CID 121149467
N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 7488338
2,5-dichloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide
CID 41427635
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxyacetamide
CID 40506262
4-methoxy-2,5-dimethyl-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 22576017
2-methoxy-5-methyl-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 122284192

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-methoxy-2-methylbenzenesulfonamide?
The IUPAC name of 5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-methoxy-2-methylbenzenesulfonamide (CID 121031239) is 5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-methoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-methoxy-2-methylbenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-methoxy-2-methylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)Nc2cccc(-c3cn4c(n3)SCC4)c2)cc1Cl.
What is the InChIKey of 5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-methoxy-2-methylbenzenesulfonamide?
The InChIKey is MUXOKHFWAFKLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S2/c1-12-8-17(26-2)15(20)10-18(12)28(24,25)22-14-5-3-4-13(9-14)16-11-23-6-7-27-19(23)21-16/h3-5,8-11,22H,6-7H2,1-2H3.
What are the key properties of 5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-methoxy-2-methylbenzenesulfonamide?
5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-methoxy-2-methylbenzenesulfonamide has a molecular weight of 435.96 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-methoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 121031239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).