2-methyl-N-(5-nitro-1,3-oxazol-2-yl)-5-phenyl-1,3-thiazole-4-carboxamide

C14H10N4O4S — CID 43854861

IUPAC2-methyl-N-(5-nitro-1,3-oxazol-2-yl)-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ncc([N+](=O)[O-])o2)c(-c2ccccc2)s1
InChIInChI=1S/C14H10N4O4S/c1-8-16-11(12(23-8)9-5-3-2-4-6-9)13(19)17-14-15-7-10(22-14)18(20)21/h2-7H,1H3,(H,15,17,19)
InChIKeyCONPSLAZZKXGRD-UHFFFAOYSA-N
MW330.33 g/mol
LogP3.27
Rot. Bonds4

About 2-methyl-N-(5-nitro-1,3-oxazol-2-yl)-5-phenyl-1,3-thiazole-4-carboxamide

2-methyl-N-(5-nitro-1,3-oxazol-2-yl)-5-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 43854861) has the molecular formula C14H10N4O4S and a molecular weight of 330.33 g/mol. Its IUPAC name is 2-methyl-N-(5-nitro-1,3-oxazol-2-yl)-5-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(5-nitro-1,3-oxazol-2-yl)-5-phenyl-1,3-thiazole-4-carboxamide
PubChem CID43854861
Molecular FormulaC14H10N4O4S
Molecular Weight330.33 g/mol
Exact Mass330.04
IUPAC Name2-methyl-N-(5-nitro-1,3-oxazol-2-yl)-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ncc([N+](=O)[O-])o2)c(-c2ccccc2)s1
InChIInChI=1S/C14H10N4O4S/c1-8-16-11(12(23-8)9-5-3-2-4-6-9)13(19)17-14-15-7-10(22-14)18(20)21/h2-7H,1H3,(H,15,17,19)
InChIKeyCONPSLAZZKXGRD-UHFFFAOYSA-N
XLogP3.27
TPSA111.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.27
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

2-methyl-5-phenyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)-1,3-thiazole-4-carboxamide
CID 43854828
2-methyl-5-phenyl-N-(4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide
CID 43854628
N-cyclopentyl-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 110647439
N-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 43854642
N-(5-chloro-2-methylphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 43854702
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 110648795
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 43854818
ethyl 2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 110651262
2-methyl-5-phenyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 43854625
2-methyl-N-(4-oxo-3H-quinazolin-8-yl)-5-phenyl-1,3-thiazole-4-carboxamide
CID 167965755
N-[(2S)-1-aminopropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68727128
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68727023

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-nitro-1,3-oxazol-2-yl)-5-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-(5-nitro-1,3-oxazol-2-yl)-5-phenyl-1,3-thiazole-4-carboxamide (CID 43854861) is 2-methyl-N-(5-nitro-1,3-oxazol-2-yl)-5-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(5-nitro-1,3-oxazol-2-yl)-5-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-(5-nitro-1,3-oxazol-2-yl)-5-phenyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2ncc([N+](=O)[O-])o2)c(-c2ccccc2)s1.
What is the InChIKey of 2-methyl-N-(5-nitro-1,3-oxazol-2-yl)-5-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is CONPSLAZZKXGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O4S/c1-8-16-11(12(23-8)9-5-3-2-4-6-9)13(19)17-14-15-7-10(22-14)18(20)21/h2-7H,1H3,(H,15,17,19).
What are the key properties of 2-methyl-N-(5-nitro-1,3-oxazol-2-yl)-5-phenyl-1,3-thiazole-4-carboxamide?
2-methyl-N-(5-nitro-1,3-oxazol-2-yl)-5-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 330.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-nitro-1,3-oxazol-2-yl)-5-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 43854861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).