N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxy-4-nitrophenyl)oxamide

C14H14N4O5S — CID 108513016

IUPACN'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxy-4-nitrophenyl)oxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C14H14N4O5S/c1-7-8(2)24-14(15-7)17-13(20)12(19)16-10-5-4-9(18(21)22)6-11(10)23-3/h4-6H,1-3H3,(H,16,19)(H,15,17,20)
InChIKeyODNGOTKYTVSREH-UHFFFAOYSA-N
MW350.36 g/mol
LogP2.25
Rot. Bonds4

About N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxy-4-nitrophenyl)oxamide

N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxy-4-nitrophenyl)oxamide (PubChem CID 108513016) has the molecular formula C14H14N4O5S and a molecular weight of 350.36 g/mol. Its IUPAC name is N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxy-4-nitrophenyl)oxamide.

Molecular Properties

Compound NameN'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxy-4-nitrophenyl)oxamide
PubChem CID108513016
Molecular FormulaC14H14N4O5S
Molecular Weight350.36 g/mol
Exact Mass350.07
IUPAC NameN'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxy-4-nitrophenyl)oxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C14H14N4O5S/c1-7-8(2)24-14(15-7)17-13(20)12(19)16-10-5-4-9(18(21)22)6-11(10)23-3/h4-6H,1-3H3,(H,16,19)(H,15,17,20)
InChIKeyODNGOTKYTVSREH-UHFFFAOYSA-N
XLogP2.25
TPSA123.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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

N'-(3,5-dimethylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108513035
N'-(2-amino-5-methylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108513088
N-(4-tert-butylphenyl)-N'-(2-methoxy-4-nitrophenyl)oxamide
CID 108513014
N'-(2-methoxy-4-nitrophenyl)-N-[(4-methylphenyl)methyl]oxamide
CID 108512912
N'-butan-2-yl-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108505403
N-(2-methoxy-4-nitrophenyl)-4,6-dimethylpyridine-2-carboxamide
CID 19224349
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
2-(azepan-1-yl)-N-(2-methoxy-4-nitrophenyl)-2-oxoacetamide
CID 108512934
2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 4285710
N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-hydroxy-4-methylphenyl)oxamide
CID 108529987
N-(2-methoxy-4-nitrophenyl)-N'-(piperidine-4-carbonyl)oxamide
CID 108513058
N'-[1-(1-adamantyl)ethyl]-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108509013

Frequently Asked Questions

What is the IUPAC name of N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxy-4-nitrophenyl)oxamide?
The IUPAC name of N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxy-4-nitrophenyl)oxamide (CID 108513016) is N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxy-4-nitrophenyl)oxamide.
What is the SMILES notation for N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxy-4-nitrophenyl)oxamide?
The canonical SMILES for N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxy-4-nitrophenyl)oxamide is COc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)Nc1nc(C)c(C)s1.
What is the InChIKey of N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxy-4-nitrophenyl)oxamide?
The InChIKey is ODNGOTKYTVSREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O5S/c1-7-8(2)24-14(15-7)17-13(20)12(19)16-10-5-4-9(18(21)22)6-11(10)23-3/h4-6H,1-3H3,(H,16,19)(H,15,17,20).
What are the key properties of N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxy-4-nitrophenyl)oxamide?
N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxy-4-nitrophenyl)oxamide has a molecular weight of 350.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxy-4-nitrophenyl)oxamide is sourced from PubChem (CID 108513016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).