2-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrobenzamide

C16H13N3O4S2 — CID 112795463

IUPAC2-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc(C)s2)cs1
InChIInChI=1S/C16H13N3O4S2/c1-9-3-6-14(25-9)12-8-24-16(17-12)18-15(20)11-7-10(19(21)22)4-5-13(11)23-2/h3-8H,1-2H3,(H,17,18,20)
InChIKeyDGFUNPWDZBPUAO-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.35
Rot. Bonds5

About 2-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrobenzamide

2-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrobenzamide (PubChem CID 112795463) has the molecular formula C16H13N3O4S2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrobenzamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrobenzamide
PubChem CID112795463
Molecular FormulaC16H13N3O4S2
Molecular Weight375.43 g/mol
Exact Mass375.03
IUPAC Name2-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc(C)s2)cs1
InChIInChI=1S/C16H13N3O4S2/c1-9-3-6-14(25-9)12-8-24-16(17-12)18-15(20)11-7-10(19(21)22)4-5-13(11)23-2/h3-8H,1-2H3,(H,17,18,20)
InChIKeyDGFUNPWDZBPUAO-UHFFFAOYSA-N
XLogP4.35
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.35
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-methoxy-5-nitro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 9047093
2-methoxy-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370129
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methyl-4-nitrobenzamide
CID 60619782
3,4,5-trimethoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 42008469
3-methoxy-4-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 42009828
2,3-dimethoxy-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 7243954
2,4-dimethoxy-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 1049837
2-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-5-nitrobenzamide
CID 9047280
N-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxy-5-nitrobenzamide
CID 9046618
2-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 55722787
3-ethoxy-4-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 24570098
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,4-dinitrobenzamide
CID 4091155

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrobenzamide?
The IUPAC name of 2-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrobenzamide (CID 112795463) is 2-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrobenzamide.
What is the SMILES notation for 2-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrobenzamide?
The canonical SMILES for 2-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrobenzamide is COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc(C)s2)cs1.
What is the InChIKey of 2-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrobenzamide?
The InChIKey is DGFUNPWDZBPUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4S2/c1-9-3-6-14(25-9)12-8-24-16(17-12)18-15(20)11-7-10(19(21)22)4-5-13(11)23-2/h3-8H,1-2H3,(H,17,18,20).
What are the key properties of 2-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrobenzamide?
2-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrobenzamide has a molecular weight of 375.43 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrobenzamide is sourced from PubChem (CID 112795463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).