N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-3-nitrobenzamide

C19H14N4O3S — CID 40506170

IUPACN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-3-nitrobenzamide
SMILESCc1c(C(=O)Nc2cccc(-c3cn4ccsc4n3)c2)cccc1[N+](=O)[O-]
InChIInChI=1S/C19H14N4O3S/c1-12-15(6-3-7-17(12)23(25)26)18(24)20-14-5-2-4-13(10-14)16-11-22-8-9-27-19(22)21-16/h2-11H,1H3,(H,20,24)
InChIKeyIROVYKGZHRNOSR-UHFFFAOYSA-N
MW378.41 g/mol
LogP4.53
Rot. Bonds4

About N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-3-nitrobenzamide

N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-3-nitrobenzamide (PubChem CID 40506170) has the molecular formula C19H14N4O3S and a molecular weight of 378.41 g/mol. Its IUPAC name is N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-3-nitrobenzamide
PubChem CID40506170
Molecular FormulaC19H14N4O3S
Molecular Weight378.41 g/mol
Exact Mass378.08
IUPAC NameN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-3-nitrobenzamide
SMILESCc1c(C(=O)Nc2cccc(-c3cn4ccsc4n3)c2)cccc1[N+](=O)[O-]
InChIInChI=1S/C19H14N4O3S/c1-12-15(6-3-7-17(12)23(25)26)18(24)20-14-5-2-4-13(10-14)16-11-22-8-9-27-19(22)21-16/h2-11H,1H3,(H,20,24)
InChIKeyIROVYKGZHRNOSR-UHFFFAOYSA-N
XLogP4.53
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-nitrobenzamide
CID 3254217
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4-dimethylbenzamide
CID 40506197
2-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3644824
4-tert-butyl-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 40506192
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-iodobenzamide
CID 983313
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167387
2-methyl-3-nitro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108727476
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137147397
N-(3-chlorophenyl)-2-methyl-3-nitrobenzamide
CID 803481
N-(3-bromophenyl)-2-methyl-3-nitrobenzamide
CID 799056
2-(3,4-dimethoxyphenyl)-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 40506189
N-(3,4-dimethylphenyl)-2-methyl-3-nitrobenzamide
CID 5187625

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-3-nitrobenzamide?
The IUPAC name of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-3-nitrobenzamide (CID 40506170) is N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-3-nitrobenzamide.
What is the SMILES notation for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-3-nitrobenzamide?
The canonical SMILES for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-3-nitrobenzamide is Cc1c(C(=O)Nc2cccc(-c3cn4ccsc4n3)c2)cccc1[N+](=O)[O-].
What is the InChIKey of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-3-nitrobenzamide?
The InChIKey is IROVYKGZHRNOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3S/c1-12-15(6-3-7-17(12)23(25)26)18(24)20-14-5-2-4-13(10-14)16-11-22-8-9-27-19(22)21-16/h2-11H,1H3,(H,20,24).
What are the key properties of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-3-nitrobenzamide?
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-3-nitrobenzamide has a molecular weight of 378.41 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-3-nitrobenzamide is sourced from PubChem (CID 40506170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).