N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-methyl-3-nitrobenzamide

C19H14N4O3S — CID 26208885

IUPACN-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-methyl-3-nitrobenzamide
SMILESCc1ccc(C(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H14N4O3S/c1-11-6-7-12(8-17(11)23(25)26)18(24)22-19-21-16(10-27-19)14-9-20-15-5-3-2-4-13(14)15/h2-10,20H,1H3,(H,21,22,24)
InChIKeyJUHYTQIQVAVCHF-UHFFFAOYSA-N
MW378.41 g/mol
LogP4.76
Rot. Bonds4

About N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-methyl-3-nitrobenzamide

N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-methyl-3-nitrobenzamide (PubChem CID 26208885) has the molecular formula C19H14N4O3S and a molecular weight of 378.41 g/mol. Its IUPAC name is N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-methyl-3-nitrobenzamide
PubChem CID26208885
Molecular FormulaC19H14N4O3S
Molecular Weight378.41 g/mol
Exact Mass378.08
IUPAC NameN-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-methyl-3-nitrobenzamide
SMILESCc1ccc(C(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H14N4O3S/c1-11-6-7-12(8-17(11)23(25)26)18(24)22-19-21-16(10-27-19)14-9-20-15-5-3-2-4-13(14)15/h2-10,20H,1H3,(H,21,22,24)
InChIKeyJUHYTQIQVAVCHF-UHFFFAOYSA-N
XLogP4.76
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methoxy-4-methylbenzamide
CID 55413859
3-[(dimethylamino)methyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide
CID 167861370
N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 55468616
4-acetamido-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 134041748
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55341188
4-methyl-3-nitro-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide
CID 2285767
cis-(1R,2S)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-nitrocyclopropane-1-carboxamide
CID 94134950
3-methoxy-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 134041751
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-methoxy-3-nitrobenzamide
CID 7921823
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-3,5-dinitrobenzamide
CID 19195225
N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-4-methyl-3-nitrobenzamide
CID 5154094
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-3-carboxamide
CID 24562986

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-methyl-3-nitrobenzamide?
The IUPAC name of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-methyl-3-nitrobenzamide (CID 26208885) is N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-methyl-3-nitrobenzamide.
What is the SMILES notation for N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-methyl-3-nitrobenzamide?
The canonical SMILES for N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-methyl-3-nitrobenzamide is Cc1ccc(C(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)cc1[N+](=O)[O-].
What is the InChIKey of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-methyl-3-nitrobenzamide?
The InChIKey is JUHYTQIQVAVCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3S/c1-11-6-7-12(8-17(11)23(25)26)18(24)22-19-21-16(10-27-19)14-9-20-15-5-3-2-4-13(14)15/h2-10,20H,1H3,(H,21,22,24).
What are the key properties of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-methyl-3-nitrobenzamide?
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-methyl-3-nitrobenzamide has a molecular weight of 378.41 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-methyl-3-nitrobenzamide is sourced from PubChem (CID 26208885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).