N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitrobenzamide

C19H16F2N4O4S — CID 16963254

IUPACN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitrobenzamide
SMILESCOCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C19H16F2N4O4S/c1-29-7-6-22-16-5-3-12(25(27)28)9-14(16)18(26)24-19-23-17(10-30-19)13-8-11(20)2-4-15(13)21/h2-5,8-10,22H,6-7H2,1H3,(H,23,24,26)
InChIKeyRVFHFZXDOBZKCU-UHFFFAOYSA-N
MW434.42 g/mol
LogP4.31
Rot. Bonds8

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

N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitrobenzamide (PubChem CID 16963254) has the molecular formula C19H16F2N4O4S and a molecular weight of 434.42 g/mol. Its IUPAC name is N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitrobenzamide.

Molecular Properties

Compound NameN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitrobenzamide
PubChem CID16963254
Molecular FormulaC19H16F2N4O4S
Molecular Weight434.42 g/mol
Exact Mass434.09
IUPAC NameN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitrobenzamide
SMILESCOCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C19H16F2N4O4S/c1-29-7-6-22-16-5-3-12(25(27)28)9-14(16)18(26)24-19-23-17(10-30-19)13-8-11(20)2-4-15(13)21/h2-5,8-10,22H,6-7H2,1H3,(H,23,24,26)
InChIKeyRVFHFZXDOBZKCU-UHFFFAOYSA-N
XLogP4.31
TPSA106.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

2-(2-methoxyethylamino)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-nitrobenzamide
CID 16963194
2-(2-methoxyethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-5-nitrobenzamide
CID 16963101
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitrobenzamide
CID 16963337
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitrobenzamide
CID 16963342
N-(2-fluoro-5-methylphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide
CID 16963170
2-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 55722787
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-fluoro-2-methoxybenzamide
CID 31116741
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitrobenzamide
CID 16963292
2-(2-methoxyethylamino)-5-nitrobenzamide
CID 2960673
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 9492640
2-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 8839157
N-(4-cyanophenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide
CID 16963092

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitrobenzamide?
The IUPAC name of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitrobenzamide (CID 16963254) is N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitrobenzamide.
What is the SMILES notation for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitrobenzamide?
The canonical SMILES for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitrobenzamide is COCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2cc(F)ccc2F)cs1.
What is the InChIKey of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitrobenzamide?
The InChIKey is RVFHFZXDOBZKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O4S/c1-29-7-6-22-16-5-3-12(25(27)28)9-14(16)18(26)24-19-23-17(10-30-19)13-8-11(20)2-4-15(13)21/h2-5,8-10,22H,6-7H2,1H3,(H,23,24,26).
What are the key properties of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitrobenzamide?
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitrobenzamide has a molecular weight of 434.42 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitrobenzamide is sourced from PubChem (CID 16963254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).