3-methoxy-N-(2-methoxyethyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide

C20H19N3O5S — CID 8871693

IUPAC3-methoxy-N-(2-methoxyethyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOCCN(C(=O)c1cccc(OC)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1
InChIInChI=1S/C20H19N3O5S/c1-27-11-10-22(19(24)15-4-3-5-17(12-15)28-2)20-21-18(13-29-20)14-6-8-16(9-7-14)23(25)26/h3-9,12-13H,10-11H2,1-2H3
InChIKeyYZDIBELXNMUBQT-UHFFFAOYSA-N
MW413.46 g/mol
LogP4.02
Rot. Bonds8

About 3-methoxy-N-(2-methoxyethyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide

3-methoxy-N-(2-methoxyethyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 8871693) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is 3-methoxy-N-(2-methoxyethyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-(2-methoxyethyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID8871693
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC Name3-methoxy-N-(2-methoxyethyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOCCN(C(=O)c1cccc(OC)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1
InChIInChI=1S/C20H19N3O5S/c1-27-11-10-22(19(24)15-4-3-5-17(12-15)28-2)20-21-18(13-29-20)14-6-8-16(9-7-14)23(25)26/h3-9,12-13H,10-11H2,1-2H3
InChIKeyYZDIBELXNMUBQT-UHFFFAOYSA-N
XLogP4.02
TPSA94.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 54.02
H-Bond Donors ≤ 50
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

N-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide;hydrochloride
CID 171667855
N-(2-methoxyphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 4843850
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxy-N-propylbenzamide
CID 22433180
N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-3-pentoxybenzamide
CID 4646219
N-[3-(diethylamino)propyl]-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3170750
N-benzyl-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 1172662
2,4-dimethoxy-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 1049837
4-ethoxy-N-(3-methylphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 2554505
methyl 3-nitro-5-[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enylcarbamoyl]benzoate
CID 26212430
1-N,3-N-bis(3-aminopropyl)-1-N,3-N-bis(4-phenyl-1,3-thiazol-2-yl)benzene-1,3-dicarboxamide
CID 66727925
1-(3-methoxyphenyl)-2-(4-nitrophenoxy)ethanone
CID 898904
3-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 3298434

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-methoxyethyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-methoxy-N-(2-methoxyethyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide (CID 8871693) is 3-methoxy-N-(2-methoxyethyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-(2-methoxyethyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-methoxy-N-(2-methoxyethyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide is COCCN(C(=O)c1cccc(OC)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1.
What is the InChIKey of 3-methoxy-N-(2-methoxyethyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is YZDIBELXNMUBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S/c1-27-11-10-22(19(24)15-4-3-5-17(12-15)28-2)20-21-18(13-29-20)14-6-8-16(9-7-14)23(25)26/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of 3-methoxy-N-(2-methoxyethyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide?
3-methoxy-N-(2-methoxyethyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 413.46 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-methoxyethyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 8871693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).