N-(3,3-diethoxypropyl)-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

C24H25N3O4S2 — CID 59818326

IUPACN-(3,3-diethoxypropyl)-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCCOC(CCN(C(=O)c1cccs1)c1nc(-c2cc(-c3ccccc3)no2)cs1)OCC
InChIInChI=1S/C24H25N3O4S2/c1-3-29-22(30-4-2)12-13-27(23(28)21-11-8-14-32-21)24-25-19(16-33-24)20-15-18(26-31-20)17-9-6-5-7-10-17/h5-11,14-16,22H,3-4,12-13H2,1-2H3
InChIKeyLGDGGZPDLADASL-UHFFFAOYSA-N
MW483.62 g/mol
LogP5.96
Rot. Bonds11

About N-(3,3-diethoxypropyl)-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

N-(3,3-diethoxypropyl)-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 59818326) has the molecular formula C24H25N3O4S2 and a molecular weight of 483.62 g/mol. Its IUPAC name is N-(3,3-diethoxypropyl)-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,3-diethoxypropyl)-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID59818326
Molecular FormulaC24H25N3O4S2
Molecular Weight483.62 g/mol
Exact Mass483.13
IUPAC NameN-(3,3-diethoxypropyl)-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCCOC(CCN(C(=O)c1cccs1)c1nc(-c2cc(-c3ccccc3)no2)cs1)OCC
InChIInChI=1S/C24H25N3O4S2/c1-3-29-22(30-4-2)12-13-27(23(28)21-11-8-14-32-21)24-25-19(16-33-24)20-15-18(26-31-20)17-9-6-5-7-10-17/h5-11,14-16,22H,3-4,12-13H2,1-2H3
InChIKeyLGDGGZPDLADASL-UHFFFAOYSA-N
XLogP5.96
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.62
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-diethoxypropyl)-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-(3,3-diethoxypropyl)-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 59818326) is N-(3,3-diethoxypropyl)-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-(3,3-diethoxypropyl)-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-(3,3-diethoxypropyl)-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is CCOC(CCN(C(=O)c1cccs1)c1nc(-c2cc(-c3ccccc3)no2)cs1)OCC.
What is the InChIKey of N-(3,3-diethoxypropyl)-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is LGDGGZPDLADASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S2/c1-3-29-22(30-4-2)12-13-27(23(28)21-11-8-14-32-21)24-25-19(16-33-24)20-15-18(26-31-20)17-9-6-5-7-10-17/h5-11,14-16,22H,3-4,12-13H2,1-2H3.
What are the key properties of N-(3,3-diethoxypropyl)-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
N-(3,3-diethoxypropyl)-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 483.62 g/mol, XLogP of 5.96, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diethoxypropyl)-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 59818326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).