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

C19H16N4O3S — CID 40506233

IUPACN-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-methyl-4-nitrobenzamide
SMILESCc1cc(C(=O)Nc2cccc(-c3cn4c(n3)SCC4)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H16N4O3S/c1-12-9-14(5-6-17(12)23(25)26)18(24)20-15-4-2-3-13(10-15)16-11-22-7-8-27-19(22)21-16/h2-6,9-11H,7-8H2,1H3,(H,20,24)
InChIKeyRMQKHMNUTBMCMR-UHFFFAOYSA-N
MW380.43 g/mol
LogP4.12
Rot. Bonds4

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

N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-methyl-4-nitrobenzamide (PubChem CID 40506233) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-methyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-methyl-4-nitrobenzamide
PubChem CID40506233
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC NameN-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-methyl-4-nitrobenzamide
SMILESCc1cc(C(=O)Nc2cccc(-c3cn4c(n3)SCC4)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H16N4O3S/c1-12-9-14(5-6-17(12)23(25)26)18(24)20-15-4-2-3-13(10-15)16-11-22-7-8-27-19(22)21-16/h2-6,9-11H,7-8H2,1H3,(H,20,24)
InChIKeyRMQKHMNUTBMCMR-UHFFFAOYSA-N
XLogP4.12
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 54.12
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

4-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-nitrobenzamide
CID 40506251
N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3,5-dinitrobenzamide
CID 41427391
3-methyl-4-nitro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532180
3-methyl-4-nitro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035359
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxyacetamide
CID 40506262
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121031180
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(3,5-dimethylphenoxy)propanamide
CID 121031089
3-methyl-N-[3-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzamide
CID 5234322
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 121031173
N-[3-(1,3-benzoxazol-2-yl)phenyl]-3-methyl-4-nitrobenzamide
CID 1068351
2-(3-bromophenyl)-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]acetamide
CID 40506227
N-[3-(dimethylamino)phenyl]-3-methyl-4-nitrobenzamide
CID 84577418

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-methyl-4-nitrobenzamide?
The IUPAC name of N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-methyl-4-nitrobenzamide (CID 40506233) is N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-methyl-4-nitrobenzamide.
What is the SMILES notation for N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-methyl-4-nitrobenzamide?
The canonical SMILES for N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-methyl-4-nitrobenzamide is Cc1cc(C(=O)Nc2cccc(-c3cn4c(n3)SCC4)c2)ccc1[N+](=O)[O-].
What is the InChIKey of N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-methyl-4-nitrobenzamide?
The InChIKey is RMQKHMNUTBMCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-12-9-14(5-6-17(12)23(25)26)18(24)20-15-4-2-3-13(10-15)16-11-22-7-8-27-19(22)21-16/h2-6,9-11H,7-8H2,1H3,(H,20,24).
What are the key properties of N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-methyl-4-nitrobenzamide?
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-methyl-4-nitrobenzamide has a molecular weight of 380.43 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-methyl-4-nitrobenzamide is sourced from PubChem (CID 40506233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).