2-methoxy-5-nitro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide

C20H19N3O5S — CID 9047093

IUPAC2-methoxy-5-nitro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCCOc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3OC)n2)cc1
InChIInChI=1S/C20H19N3O5S/c1-3-10-28-15-7-4-13(5-8-15)17-12-29-20(21-17)22-19(24)16-11-14(23(25)26)6-9-18(16)27-2/h4-9,11-12H,3,10H2,1-2H3,(H,21,22,24)
InChIKeyFCIFAKZHPZGHKJ-UHFFFAOYSA-N
MW413.46 g/mol
LogP4.77
Rot. Bonds8

About 2-methoxy-5-nitro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide

2-methoxy-5-nitro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 9047093) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is 2-methoxy-5-nitro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-5-nitro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID9047093
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC Name2-methoxy-5-nitro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCCOc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3OC)n2)cc1
InChIInChI=1S/C20H19N3O5S/c1-3-10-28-15-7-4-13(5-8-15)17-12-29-20(21-17)22-19(24)16-11-14(23(25)26)6-9-18(16)27-2/h4-9,11-12H,3,10H2,1-2H3,(H,21,22,24)
InChIKeyFCIFAKZHPZGHKJ-UHFFFAOYSA-N
XLogP4.77
TPSA103.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 54.77
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

2,4-dimethoxy-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 1049837
2-(2-methoxyethylamino)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-nitrobenzamide
CID 16963194
2-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrobenzamide
CID 112795463
5-methylsulfanyl-2-nitro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 27873181
2,5-dimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16557171
2,5-dimethyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4591779
2,4-difluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8918311
3-(4-nitrophenyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4192779
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-methyl-3-nitrobenzamide
CID 19197460
2,5-dimethoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16848687
2-(3,4-dimethoxyphenyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 7920230
2-(4-ethoxyphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 4300165

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-nitro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-methoxy-5-nitro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide (CID 9047093) is 2-methoxy-5-nitro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-methoxy-5-nitro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-methoxy-5-nitro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide is CCCOc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3OC)n2)cc1.
What is the InChIKey of 2-methoxy-5-nitro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is FCIFAKZHPZGHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S/c1-3-10-28-15-7-4-13(5-8-15)17-12-29-20(21-17)22-19(24)16-11-14(23(25)26)6-9-18(16)27-2/h4-9,11-12H,3,10H2,1-2H3,(H,21,22,24).
What are the key properties of 2-methoxy-5-nitro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide?
2-methoxy-5-nitro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 413.46 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-nitro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 9047093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).