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

C15H16N4O4S — CID 4314491

IUPACN-(5-methyl-1,3-thiazol-2-yl)-4-morpholin-4-yl-3-nitrobenzamide
SMILESCc1cnc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)s1
InChIInChI=1S/C15H16N4O4S/c1-10-9-16-15(24-10)17-14(20)11-2-3-12(13(8-11)19(21)22)18-4-6-23-7-5-18/h2-3,8-9H,4-7H2,1H3,(H,16,17,20)
InChIKeyNZDCBUMDQDBQNO-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.45
Rot. Bonds4

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

N-(5-methyl-1,3-thiazol-2-yl)-4-morpholin-4-yl-3-nitrobenzamide (PubChem CID 4314491) has the molecular formula C15H16N4O4S and a molecular weight of 348.38 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-4-morpholin-4-yl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-4-morpholin-4-yl-3-nitrobenzamide
PubChem CID4314491
Molecular FormulaC15H16N4O4S
Molecular Weight348.38 g/mol
Exact Mass348.09
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-4-morpholin-4-yl-3-nitrobenzamide
SMILESCc1cnc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)s1
InChIInChI=1S/C15H16N4O4S/c1-10-9-16-15(24-10)17-14(20)11-2-3-12(13(8-11)19(21)22)18-4-6-23-7-5-18/h2-3,8-9H,4-7H2,1H3,(H,16,17,20)
InChIKeyNZDCBUMDQDBQNO-UHFFFAOYSA-N
XLogP2.45
TPSA97.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[(3S)-3-methylpiperidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide
CID 8919608
4-morpholin-4-yl-3-nitro-N-pyrimidin-2-ylbenzamide
CID 23931407
N-(5-methyl-1,3-thiazol-2-yl)-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide
CID 5221725
4-morpholin-4-yl-3-nitro-N-(2-nitrophenyl)benzamide
CID 4089078
N-(3-chloro-4-methylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2903047
N-ethyl-4-morpholin-4-yl-3-nitrobenzamide
CID 18162145
2-[[4-(4-methylpiperidin-1-yl)-3-nitrobenzoyl]amino]-1,3-thiazole-5-carboxamide
CID 25333334
4-morpholin-4-yl-3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 5214969
N-(3-iodo-4-methylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 3299574
N-(4-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2964862
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-morpholin-4-yl-3-nitrobenzamide
CID 3491966
N-(4-methylsulfonylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 18291350

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-4-morpholin-4-yl-3-nitrobenzamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-4-morpholin-4-yl-3-nitrobenzamide (CID 4314491) is N-(5-methyl-1,3-thiazol-2-yl)-4-morpholin-4-yl-3-nitrobenzamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-4-morpholin-4-yl-3-nitrobenzamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-4-morpholin-4-yl-3-nitrobenzamide is Cc1cnc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-4-morpholin-4-yl-3-nitrobenzamide?
The InChIKey is NZDCBUMDQDBQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4S/c1-10-9-16-15(24-10)17-14(20)11-2-3-12(13(8-11)19(21)22)18-4-6-23-7-5-18/h2-3,8-9H,4-7H2,1H3,(H,16,17,20).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-4-morpholin-4-yl-3-nitrobenzamide?
N-(5-methyl-1,3-thiazol-2-yl)-4-morpholin-4-yl-3-nitrobenzamide has a molecular weight of 348.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-4-morpholin-4-yl-3-nitrobenzamide is sourced from PubChem (CID 4314491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).