N'-(4-amino-3-nitrobenzoyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide

C16H18N6O5S — CID 46656827

IUPACN'-(4-amino-3-nitrobenzoyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccc(N)c([N+](=O)[O-])c1
InChIInChI=1S/C16H18N6O5S/c1-9-13(28-16(18-9)21-4-6-27-7-5-21)15(24)20-19-14(23)10-2-3-11(17)12(8-10)22(25)26/h2-3,8H,4-7,17H2,1H3,(H,19,23)(H,20,24)
InChIKeyZABLSSYCLMBCIS-UHFFFAOYSA-N
MW406.42 g/mol
LogP0.85
Rot. Bonds4

About N'-(4-amino-3-nitrobenzoyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide

N'-(4-amino-3-nitrobenzoyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide (PubChem CID 46656827) has the molecular formula C16H18N6O5S and a molecular weight of 406.42 g/mol. Its IUPAC name is N'-(4-amino-3-nitrobenzoyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(4-amino-3-nitrobenzoyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
PubChem CID46656827
Molecular FormulaC16H18N6O5S
Molecular Weight406.42 g/mol
Exact Mass406.11
IUPAC NameN'-(4-amino-3-nitrobenzoyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccc(N)c([N+](=O)[O-])c1
InChIInChI=1S/C16H18N6O5S/c1-9-13(28-16(18-9)21-4-6-27-7-5-21)15(24)20-19-14(23)10-2-3-11(17)12(8-10)22(25)26/h2-3,8H,4-7,17H2,1H3,(H,19,23)(H,20,24)
InChIKeyZABLSSYCLMBCIS-UHFFFAOYSA-N
XLogP0.85
TPSA152.72 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-methyl-N'-(5-methylfuran-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 25444482
N'-[4-(4-bromopyrazol-1-yl)benzoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 38824494
4-methyl-N'-[2-(4-methylphenyl)acetyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 17446856
4-methyl-2-morpholin-4-yl-N'-(2-phenoxyacetyl)-1,3-thiazole-5-carbohydrazide
CID 26554798
N-tert-butyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 154568714
N'-[2-(4-chlorophenyl)acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 25445255
2-benzyl-4-methyl-N'-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 39912237
N'-[2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 36757551
N'-(4-methoxyphenyl)sulfonyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 26950907
N'-(3-chloro-1-benzothiophene-2-carbonyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 25446089
5-(4-chlorophenyl)-N'-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-1,2-oxazole-3-carbohydrazide
CID 24665740
4-methyl-2-morpholin-4-yl-N'-(2-phenylbutanoyl)-1,3-thiazole-5-carbohydrazide
CID 46532195

Frequently Asked Questions

What is the IUPAC name of N'-(4-amino-3-nitrobenzoyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-(4-amino-3-nitrobenzoyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide (CID 46656827) is N'-(4-amino-3-nitrobenzoyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-(4-amino-3-nitrobenzoyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-(4-amino-3-nitrobenzoyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide is Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccc(N)c([N+](=O)[O-])c1.
What is the InChIKey of N'-(4-amino-3-nitrobenzoyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The InChIKey is ZABLSSYCLMBCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O5S/c1-9-13(28-16(18-9)21-4-6-27-7-5-21)15(24)20-19-14(23)10-2-3-11(17)12(8-10)22(25)26/h2-3,8H,4-7,17H2,1H3,(H,19,23)(H,20,24).
What are the key properties of N'-(4-amino-3-nitrobenzoyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
N'-(4-amino-3-nitrobenzoyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide has a molecular weight of 406.42 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-amino-3-nitrobenzoyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 46656827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).