2-(methylamino)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-5-nitrobenzamide

C18H16N4O3S — CID 37201234

IUPAC2-(methylamino)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-5-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C)c(-c2ccccc2)s1
InChIInChI=1S/C18H16N4O3S/c1-11-16(12-6-4-3-5-7-12)26-18(20-11)21-17(23)14-10-13(22(24)25)8-9-15(14)19-2/h3-10,19H,1-2H3,(H,20,21,23)
InChIKeyPIUZSULYEPQTIF-UHFFFAOYSA-N
MW368.42 g/mol
LogP4.32
Rot. Bonds5

About 2-(methylamino)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-5-nitrobenzamide

2-(methylamino)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-5-nitrobenzamide (PubChem CID 37201234) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is 2-(methylamino)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-(methylamino)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-5-nitrobenzamide
PubChem CID37201234
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC Name2-(methylamino)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-5-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C)c(-c2ccccc2)s1
InChIInChI=1S/C18H16N4O3S/c1-11-16(12-6-4-3-5-7-12)26-18(20-11)21-17(23)14-10-13(22(24)25)8-9-15(14)19-2/h3-10,19H,1-2H3,(H,20,21,23)
InChIKeyPIUZSULYEPQTIF-UHFFFAOYSA-N
XLogP4.32
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 54.32
H-Bond Donors ≤ 52
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

2-(methylamino)-5-nitro-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 16962208
2-(methylamino)-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29369991
2-(methylamino)-N-naphthalen-1-yl-5-nitrobenzamide
CID 16963020
N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 39040887
N-(3,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 24531986
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(methylamino)-2-nitrobenzamide
CID 115548885
1-benzyl-3-[4-methyl-5-(3-nitrophenyl)-1,3-thiazol-2-yl]urea
CID 18322909
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-chloro-5-nitrobenzamide
CID 3636527
N-(2,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16962982
2-(methylamino)-N-(1-methylpyrazol-3-yl)-5-nitrobenzamide
CID 16962880
2-chloro-4,5-difluoro-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide
CID 39189888
ethyl 2-[(2-methyl-5-nitrobenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 60596676

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-5-nitrobenzamide?
The IUPAC name of 2-(methylamino)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-5-nitrobenzamide (CID 37201234) is 2-(methylamino)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-5-nitrobenzamide.
What is the SMILES notation for 2-(methylamino)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-5-nitrobenzamide?
The canonical SMILES for 2-(methylamino)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-5-nitrobenzamide is CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C)c(-c2ccccc2)s1.
What is the InChIKey of 2-(methylamino)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-5-nitrobenzamide?
The InChIKey is PIUZSULYEPQTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-11-16(12-6-4-3-5-7-12)26-18(20-11)21-17(23)14-10-13(22(24)25)8-9-15(14)19-2/h3-10,19H,1-2H3,(H,20,21,23).
What are the key properties of 2-(methylamino)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-5-nitrobenzamide?
2-(methylamino)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-5-nitrobenzamide has a molecular weight of 368.42 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-5-nitrobenzamide is sourced from PubChem (CID 37201234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).