4-[(2Z)-2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide

C19H15ClN6O5S2 — CID 6105148

IUPAC4-[(2Z)-2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(N/N=C\c2c(Cl)nc3sccn23)c([N+](=O)[O-])c1
InChIInChI=1S/C19H15ClN6O5S2/c1-31-17-5-3-2-4-14(17)24-33(29,30)12-6-7-13(15(10-12)26(27)28)23-21-11-16-18(20)22-19-25(16)8-9-32-19/h2-11,23-24H,1H3/b21-11-
InChIKeyYVRVEDDRZIEQHS-NHDPSOOVSA-N
MW506.95 g/mol
LogP4.21
Rot. Bonds8

About 4-[(2Z)-2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide

4-[(2Z)-2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide (PubChem CID 6105148) has the molecular formula C19H15ClN6O5S2 and a molecular weight of 506.95 g/mol. Its IUPAC name is 4-[(2Z)-2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-[(2Z)-2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
PubChem CID6105148
Molecular FormulaC19H15ClN6O5S2
Molecular Weight506.95 g/mol
Exact Mass506.02
IUPAC Name4-[(2Z)-2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(N/N=C\c2c(Cl)nc3sccn23)c([N+](=O)[O-])c1
InChIInChI=1S/C19H15ClN6O5S2/c1-31-17-5-3-2-4-14(17)24-33(29,30)12-6-7-13(15(10-12)26(27)28)23-21-11-16-18(20)22-19-25(16)8-9-32-19/h2-11,23-24H,1H3/b21-11-
InChIKeyYVRVEDDRZIEQHS-NHDPSOOVSA-N
XLogP4.21
TPSA140.23 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.95
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 3502448
N-(2-methoxyphenyl)-4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 5221183
N-(2-methoxyphenyl)-4-[(2E)-2-[(1-methylpyrrol-2-yl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 42995023
N-(2-methoxyphenyl)-4-[2-[(2-methylphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 4121073
4-[(2Z)-2-[(2-bromophenyl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 6010511
4-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 6281117
4-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 135679677
4-[(2E)-2-[(3,4-difluorophenyl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 16959853
4-[(2E)-2-[(2,3-dihydroxyphenyl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 135683885
N-(2-methoxyphenyl)-4-[2-[(4-methylsulfanylphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 3393446
4-[(2Z)-2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 6279235
6-chloro-N-[2-chloro-5-[(2-methoxyphenyl)sulfamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 4069364

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide?
The IUPAC name of 4-[(2Z)-2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide (CID 6105148) is 4-[(2Z)-2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide.
What is the SMILES notation for 4-[(2Z)-2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide?
The canonical SMILES for 4-[(2Z)-2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide is COc1ccccc1NS(=O)(=O)c1ccc(N/N=C\c2c(Cl)nc3sccn23)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[(2Z)-2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide?
The InChIKey is YVRVEDDRZIEQHS-NHDPSOOVSA-N. The full InChI is InChI=1S/C19H15ClN6O5S2/c1-31-17-5-3-2-4-14(17)24-33(29,30)12-6-7-13(15(10-12)26(27)28)23-21-11-16-18(20)22-19-25(16)8-9-32-19/h2-11,23-24H,1H3/b21-11-.
What are the key properties of 4-[(2Z)-2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide?
4-[(2Z)-2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide has a molecular weight of 506.95 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 6105148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).